4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine

C14H15ClFN3 — CID 105389320

IUPAC4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCN(Cc1cccc(Cl)c1)c1nccc(CN)c1F
InChIInChI=1S/C14H15ClFN3/c1-19(9-10-3-2-4-12(15)7-10)14-13(16)11(8-17)5-6-18-14/h2-7H,8-9,17H2,1H3
InChIKeyJVHLYFQJUHPKHD-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.97
Rot. Bonds4

About 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine

4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine (PubChem CID 105389320) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
PubChem CID105389320
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCN(Cc1cccc(Cl)c1)c1nccc(CN)c1F
InChIInChI=1S/C14H15ClFN3/c1-19(9-10-3-2-4-12(15)7-10)14-13(16)11(8-17)5-6-18-14/h2-7H,8-9,17H2,1H3
InChIKeyJVHLYFQJUHPKHD-UHFFFAOYSA-N
XLogP2.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389702
[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
CID 105391554
4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 107532224
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
CID 103721743
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712
4-N-[(3-chlorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794023

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine (CID 105389320) is 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine is CN(Cc1cccc(Cl)c1)c1nccc(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is JVHLYFQJUHPKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-19(9-10-3-2-4-12(15)7-10)14-13(16)11(8-17)5-6-18-14/h2-7H,8-9,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine?
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 279.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 105389320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).