(3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine

C93H101F18N13 — CID 158629710

IUPAC(3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESCc1cc(N(C)CCc2ccccn2)cc(C(F)(F)F)c1.Cc1cc(N(C)CCc2ccncc2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(Cc3ccncc3)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CC[C@@H](N(C)C)C2)cc(C(F)(F)F)c1.Cc1cc(NCCc2ccncc2)cc(C(F)(F)F)c1.Cc1cc(NCc2ccncc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3.2C16H17F3N2.C15H15F3N2.C14H19F3N2.C14H13F3N2/c1-14-10-16(18(19,20)21)12-17(11-14)24-8-6-23(7-9-24)13-15-2-4-22-5-3-15;1-12-9-14(16(17,18)19)11-15(10-12)21(2)8-5-13-3-6-20-7-4-13;1-12-9-13(16(17,18)19)11-15(10-12)21(2)8-6-14-5-3-4-7-20-14;1-11-8-13(15(16,17)18)10-14(9-11)20-7-4-12-2-5-19-6-3-12;1-10-6-11(14(15,16)17)8-13(7-10)19-5-4-12(9-19)18(2)3;1-10-6-12(14(15,16)17)8-13(7-10)19-9-11-2-4-18-5-3-11/h2-5,10-12H,6-9,13H2,1H3;3-4,6-7,9-11H,5,8H2,1-2H3;3-5,7,9-11H,6,8H2,1-2H3;2-3,5-6,8-10,20H,4,7H2,1H3;6-8,12H,4-5,9H2,1-3H3;2-8,19H,9H2,1H3/t;;;;12-;/m....1./s1
InChIKeyHZAPYSNSMXJFMT-DZWKMQDQSA-N
MW1742.89 g/mol
LogP23.14
Rot. Bonds20

About (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine

(3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 158629710) has the molecular formula C93H101F18N13 and a molecular weight of 1742.89 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine
PubChem CID158629710
Molecular FormulaC93H101F18N13
Molecular Weight1742.89 g/mol
Exact Mass1741.80
IUPAC Name(3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESCc1cc(N(C)CCc2ccccn2)cc(C(F)(F)F)c1.Cc1cc(N(C)CCc2ccncc2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(Cc3ccncc3)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CC[C@@H](N(C)C)C2)cc(C(F)(F)F)c1.Cc1cc(NCCc2ccncc2)cc(C(F)(F)F)c1.Cc1cc(NCc2ccncc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3.2C16H17F3N2.C15H15F3N2.C14H19F3N2.C14H13F3N2/c1-14-10-16(18(19,20)21)12-17(11-14)24-8-6-23(7-9-24)13-15-2-4-22-5-3-15;1-12-9-14(16(17,18)19)11-15(10-12)21(2)8-5-13-3-6-20-7-4-13;1-12-9-13(16(17,18)19)11-15(10-12)21(2)8-6-14-5-3-4-7-20-14;1-11-8-13(15(16,17)18)10-14(9-11)20-7-4-12-2-5-19-6-3-12;1-10-6-11(14(15,16)17)8-13(7-10)19-5-4-12(9-19)18(2)3;1-10-6-12(14(15,16)17)8-13(7-10)19-9-11-2-4-18-5-3-11/h2-5,10-12H,6-9,13H2,1H3;3-4,6-7,9-11H,5,8H2,1-2H3;3-5,7,9-11H,6,8H2,1-2H3;2-3,5-6,8-10,20H,4,7H2,1H3;6-8,12H,4-5,9H2,1-3H3;2-8,19H,9H2,1H3/t;;;;12-;/m....1./s1
InChIKeyHZAPYSNSMXJFMT-DZWKMQDQSA-N
XLogP23.14
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.89
LogP ≤ 523.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine with MolForge

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Related Compounds

1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium hexacosahexafluorophosphate
CID 46889635
N,N-bis(pyridin-2-ylmethyl)-1-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-4-pyridinyl]methanamine
CID 155521909
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-4-pyridinyl]methanamine
CID 155568146
(1S,2S)-1-N-[[8-[[[(1S,2S)-2-[bis(pyridin-2-ylmethyl)amino]cyclohexyl]amino]methyl]anthracen-1-yl]methyl]-2-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 101496685
(1R,2R)-1-N-[[8-[[[(1R,2R)-2-[bis(pyridin-2-ylmethyl)amino]cyclohexyl]amino]methyl]anthracen-1-yl]methyl]-2-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 162651592
1-[[3-[[4-[1-[[3-[4-[1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]-5-[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(4-ethylpyridin-1-ium-1-yl)pyridin-1-ium hexacosahexafluorophosphate
CID 71453766
Tris(2-pyridin-2-ylpyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 72192756
bis(manganese(2+));(2-methylphenyl)-[4-(2-methylphenyl)azanidyl-3,6-bis[(2-methylphenyl)imino]cyclohexa-1,4-dien-1-yl]azanide;bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139046353
Tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 162405660
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 166444863
Ccris 7290
CID 132472054
2-[2-[3,5-Bis[2-(6-pyridin-2-ylpyridin-2-yl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
CID 71127808

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine (CID 158629710) is (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine is Cc1cc(N(C)CCc2ccccn2)cc(C(F)(F)F)c1.Cc1cc(N(C)CCc2ccncc2)cc(C(F)(F)F)c1.Cc1cc(N2CCN(Cc3ccncc3)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CC[C@@H](N(C)C)C2)cc(C(F)(F)F)c1.Cc1cc(NCCc2ccncc2)cc(C(F)(F)F)c1.Cc1cc(NCc2ccncc2)cc(C(F)(F)F)c1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is HZAPYSNSMXJFMT-DZWKMQDQSA-N. The full InChI is InChI=1S/C18H20F3N3.2C16H17F3N2.C15H15F3N2.C14H19F3N2.C14H13F3N2/c1-14-10-16(18(19,20)21)12-17(11-14)24-8-6-23(7-9-24)13-15-2-4-22-5-3-15;1-12-9-14(16(17,18)19)11-15(10-12)21(2)8-5-13-3-6-20-7-4-13;1-12-9-13(16(17,18)19)11-15(10-12)21(2)8-6-14-5-3-4-7-20-14;1-11-8-13(15(16,17)18)10-14(9-11)20-7-4-12-2-5-19-6-3-12;1-10-6-11(14(15,16)17)8-13(7-10)19-5-4-12(9-19)18(2)3;1-10-6-12(14(15,16)17)8-13(7-10)19-9-11-2-4-18-5-3-11/h2-5,10-12H,6-9,13H2,1H3;3-4,6-7,9-11H,5,8H2,1-2H3;3-5,7,9-11H,6,8H2,1-2H3;2-3,5-6,8-10,20H,4,7H2,1H3;6-8,12H,4-5,9H2,1-3H3;2-8,19H,9H2,1H3/t;;;;12-;/m....1./s1.
What are the key properties of (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine?
(3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 1742.89 g/mol, XLogP of 23.14, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine;N,3-dimethyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)aniline;N,3-dimethyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline;3-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline;1-[3-methyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 158629710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).