1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine

C14H22F2N2 — CID 43570816

IUPAC1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(C)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2/c1-4-11(5-2)18(3)14(9-17)12-7-6-10(15)8-13(12)16/h6-8,11,14H,4-5,9,17H2,1-3H3
InChIKeyWLNBRIUAWQEVPC-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.09
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine

1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine (PubChem CID 43570816) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
PubChem CID43570816
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(C)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C14H22F2N2/c1-4-11(5-2)18(3)14(9-17)12-7-6-10(15)8-13(12)16/h6-8,11,14H,4-5,9,17H2,1-3H3
InChIKeyWLNBRIUAWQEVPC-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
1-(2,4-difluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 62002798
1-(2,4-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002988
1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine
CID 43272757
1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658297
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 91482884
1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570790
1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43184725
2-(aminomethyl)-1-(2,4-difluorophenyl)butan-1-ol
CID 65187853
1-(2,4-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904820
1-(2-bromo-4-fluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 114059954

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine (CID 43570816) is 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(C)C(CN)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is WLNBRIUAWQEVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-4-11(5-2)18(3)14(9-17)12-7-6-10(15)8-13(12)16/h6-8,11,14H,4-5,9,17H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine?
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 43570816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).