3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine

C14H15ClN2O2 — CID 55189857

IUPAC3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncccc2Cl)c(OC)c1
InChIInChI=1S/C14H15ClN2O2/c1-18-11-6-5-10(13(8-11)19-2)9-17-14-12(15)4-3-7-16-14/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyKHMCMWQUZSCQPI-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.36
Rot. Bonds5

About 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine

3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine (PubChem CID 55189857) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
PubChem CID55189857
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncccc2Cl)c(OC)c1
InChIInChI=1S/C14H15ClN2O2/c1-18-11-6-5-10(13(8-11)19-2)9-17-14-12(15)4-3-7-16-14/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyKHMCMWQUZSCQPI-UHFFFAOYSA-N
XLogP3.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine
CID 174573113
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine
CID 172753361
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine (CID 55189857) is 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ncccc2Cl)c(OC)c1.
What is the InChIKey of 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is KHMCMWQUZSCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-18-11-6-5-10(13(8-11)19-2)9-17-14-12(15)4-3-7-16-14/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine?
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 55189857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).