N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine

C125H158F30N16O2 — CID 157105042

IUPACN',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCOCCN(C)c1cc(C)cc(C(F)(F)F)c1.Cc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.Cc1cc(N(C)CCN(C)C)cc(C(F)(F)F)c1.Cc1cc(N2CCC(N(C)C)C2)cc(C(F)(F)F)c1.Cc1cc(N2CCCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCCCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CCNCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(NCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2.C13H17F3N2.C13H19F3N2.C13H16F3N.C12H11F3N2.C12H15F3N2.C12H17F3N2.C12H14F3NO.C12H16F3NO.C12H14F3N/c1-10-6-11(14(15,16)17)8-13(7-10)19-5-4-12(9-19)18(2)3;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-10-7-11(13(14,15)16)9-12(8-10)18(4)6-5-17(2)3;1-10-7-11(13(14,15)16)9-12(8-10)17-5-3-2-4-6-17;1-8-3-10(12(13,14)15)5-11(4-8)17-6-9(2)16-7-17;1-9-6-10(12(13,14)15)8-11(7-9)17-4-2-16-3-5-17;1-9-6-10(12(13,14)15)8-11(7-9)16-4-5-17(2)3;1-9-6-10(12(13,14)15)8-11(7-9)16-2-4-17-5-3-16;1-9-6-10(12(13,14)15)8-11(7-9)16(2)4-5-17-3;1-9-6-10(12(13,14)15)8-11(7-9)16-4-2-3-5-16/h6-8,12H,4-5,9H2,1-3H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;7-9H,2-6H2,1H3;3-7H,1-2H3;6-8,16H,2-5H2,1H3;6-8,16H,4-5H2,1-3H3;6-8H,2-5H2,1H3;6-8H,4-5H2,1-3H3;6-8H,2-5H2,1H3
InChIKeyAGEWXYZEMIGRGU-UHFFFAOYSA-N
MW2486.69 g/mol
LogP31.42
Rot. Bonds20

About N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 157105042) has the molecular formula C125H158F30N16O2 and a molecular weight of 2486.69 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID157105042
Molecular FormulaC125H158F30N16O2
Molecular Weight2486.69 g/mol
Exact Mass2485.23
IUPAC NameN',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCOCCN(C)c1cc(C)cc(C(F)(F)F)c1.Cc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.Cc1cc(N(C)CCN(C)C)cc(C(F)(F)F)c1.Cc1cc(N2CCC(N(C)C)C2)cc(C(F)(F)F)c1.Cc1cc(N2CCCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCCCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CCNCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(NCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2.C13H17F3N2.C13H19F3N2.C13H16F3N.C12H11F3N2.C12H15F3N2.C12H17F3N2.C12H14F3NO.C12H16F3NO.C12H14F3N/c1-10-6-11(14(15,16)17)8-13(7-10)19-5-4-12(9-19)18(2)3;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-10-7-11(13(14,15)16)9-12(8-10)18(4)6-5-17(2)3;1-10-7-11(13(14,15)16)9-12(8-10)17-5-3-2-4-6-17;1-8-3-10(12(13,14)15)5-11(4-8)17-6-9(2)16-7-17;1-9-6-10(12(13,14)15)8-11(7-9)17-4-2-16-3-5-17;1-9-6-10(12(13,14)15)8-11(7-9)16-4-5-17(2)3;1-9-6-10(12(13,14)15)8-11(7-9)16-2-4-17-5-3-16;1-9-6-10(12(13,14)15)8-11(7-9)16(2)4-5-17-3;1-9-6-10(12(13,14)15)8-11(7-9)16-4-2-3-5-16/h6-8,12H,4-5,9H2,1-3H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;7-9H,2-6H2,1H3;3-7H,1-2H3;6-8,16H,2-5H2,1H3;6-8,16H,4-5H2,1-3H3;6-8H,2-5H2,1H3;6-8H,4-5H2,1-3H3;6-8H,2-5H2,1H3
InChIKeyAGEWXYZEMIGRGU-UHFFFAOYSA-N
XLogP31.42
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002486.69
LogP ≤ 531.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 157105042) is N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine is COCCN(C)c1cc(C)cc(C(F)(F)F)c1.Cc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.Cc1cc(N(C)CCN(C)C)cc(C(F)(F)F)c1.Cc1cc(N2CCC(N(C)C)C2)cc(C(F)(F)F)c1.Cc1cc(N2CCCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCCCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CCNCC2)cc(C(F)(F)F)c1.Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(NCCN(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is AGEWXYZEMIGRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2.C13H17F3N2.C13H19F3N2.C13H16F3N.C12H11F3N2.C12H15F3N2.C12H17F3N2.C12H14F3NO.C12H16F3NO.C12H14F3N/c1-10-6-11(14(15,16)17)8-13(7-10)19-5-4-12(9-19)18(2)3;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-10-7-11(13(14,15)16)9-12(8-10)18(4)6-5-17(2)3;1-10-7-11(13(14,15)16)9-12(8-10)17-5-3-2-4-6-17;1-8-3-10(12(13,14)15)5-11(4-8)17-6-9(2)16-7-17;1-9-6-10(12(13,14)15)8-11(7-9)17-4-2-16-3-5-17;1-9-6-10(12(13,14)15)8-11(7-9)16-4-5-17(2)3;1-9-6-10(12(13,14)15)8-11(7-9)16-2-4-17-5-3-16;1-9-6-10(12(13,14)15)8-11(7-9)16(2)4-5-17-3;1-9-6-10(12(13,14)15)8-11(7-9)16-4-2-3-5-16/h6-8,12H,4-5,9H2,1-3H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;7-9H,2-6H2,1H3;3-7H,1-2H3;6-8,16H,2-5H2,1H3;6-8,16H,4-5H2,1-3H3;6-8H,2-5H2,1H3;6-8H,4-5H2,1-3H3;6-8H,2-5H2,1H3.
What are the key properties of N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 2486.69 g/mol, XLogP of 31.42, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N-(2-methoxyethyl)-N,3-dimethyl-5-(trifluoromethyl)aniline;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[3-methyl-5-(trifluoromethyl)phenyl]piperidine;1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidine;N,N,N'-trimethyl-N'-[3-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 157105042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).