3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine

C15H17ClN2O2 — CID 171335993

IUPAC3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
SMILESCOc1cc(CN(C)c2ccncc2Cl)cc(OC)c1
InChIInChI=1S/C15H17ClN2O2/c1-18(15-4-5-17-9-14(15)16)10-11-6-12(19-2)8-13(7-11)20-3/h4-9H,10H2,1-3H3
InChIKeyIBNRODORNVTTQW-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.39
Rot. Bonds5

About 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine

3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine (PubChem CID 171335993) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
PubChem CID171335993
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
SMILESCOc1cc(CN(C)c2ccncc2Cl)cc(OC)c1
InChIInChI=1S/C15H17ClN2O2/c1-18(15-4-5-17-9-14(15)16)10-11-6-12(19-2)8-13(7-11)20-3/h4-9H,10H2,1-3H3
InChIKeyIBNRODORNVTTQW-UHFFFAOYSA-N
XLogP3.39
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine
CID 133352465
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 171336258
N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
CID 79841413
3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
CID 79841040
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
N'-(3-chloro-4-pyridinyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79841429
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 81249417
N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 79840509
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylpyridin-4-amine
CID 79840601
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
2-chloro-N-ethyl-4-methoxy-N-methylaniline
CID 115259322

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine (CID 171335993) is 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine is COc1cc(CN(C)c2ccncc2Cl)cc(OC)c1.
What is the InChIKey of 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine?
The InChIKey is IBNRODORNVTTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-18(15-4-5-17-9-14(15)16)10-11-6-12(19-2)8-13(7-11)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine?
3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine has a molecular weight of 292.77 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 171335993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).