2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine

C15H18ClN3 — CID 62980335

IUPAC2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccnc(CN)c1
InChIInChI=1S/C15H18ClN3/c1-11(12-3-5-13(16)6-4-12)19(2)15-7-8-18-14(9-15)10-17/h3-9,11H,10,17H2,1-2H3
InChIKeyJZVDHANFYGOJJO-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.39
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine

2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine (PubChem CID 62980335) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
PubChem CID62980335
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccnc(CN)c1
InChIInChI=1S/C15H18ClN3/c1-11(12-3-5-13(16)6-4-12)19(2)15-7-8-18-14(9-15)10-17/h3-9,11H,10,17H2,1-2H3
InChIKeyJZVDHANFYGOJJO-UHFFFAOYSA-N
XLogP3.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
4-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 62983627
2-(aminomethyl)-N-butan-2-yl-N-methylpyridin-4-amine
CID 62300854
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
2-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251688
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
CID 62979806
2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112657230
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine (CID 62980335) is 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine is CC(c1ccc(Cl)cc1)N(C)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine?
The InChIKey is JZVDHANFYGOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(12-3-5-13(16)6-4-12)19(2)15-7-8-18-14(9-15)10-17/h3-9,11H,10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine?
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 62980335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).