4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine

C14H15ClN2O — CID 83167191

IUPAC4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(C)cc1CNc1cnccc1Cl
InChIInChI=1S/C14H15ClN2O/c1-10-3-4-14(18-2)11(7-10)8-17-13-9-16-6-5-12(13)15/h3-7,9,17H,8H2,1-2H3
InChIKeyRSDLOMUECOXVRA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.66
Rot. Bonds4

About 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine

4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine (PubChem CID 83167191) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
PubChem CID83167191
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(C)cc1CNc1cnccc1Cl
InChIInChI=1S/C14H15ClN2O/c1-10-3-4-14(18-2)11(7-10)8-17-13-9-16-6-5-12(13)15/h3-7,9,17H,8H2,1-2H3
InChIKeyRSDLOMUECOXVRA-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83163614
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
N-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83167833
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 63329305
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 104599975
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine (CID 83167191) is 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine is COc1ccc(C)cc1CNc1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine?
The InChIKey is RSDLOMUECOXVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-3-4-14(18-2)11(7-10)8-17-13-9-16-6-5-12(13)15/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine?
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine has a molecular weight of 262.74 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 83167191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).