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

C15H17ClN2O — CID 65484321

IUPAC2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
SMILESCOc1ccc(CNc2c(C)ccnc2Cl)cc1C
InChIInChI=1S/C15H17ClN2O/c1-10-6-7-17-15(16)14(10)18-9-12-4-5-13(19-3)11(2)8-12/h4-8,18H,9H2,1-3H3
InChIKeyKFSQDRZYMQZJKB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.97
Rot. Bonds4

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

2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine (PubChem CID 65484321) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
PubChem CID65484321
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
SMILESCOc1ccc(CNc2c(C)ccnc2Cl)cc1C
InChIInChI=1S/C15H17ClN2O/c1-10-6-7-17-15(16)14(10)18-9-12-4-5-13(19-3)11(2)8-12/h4-8,18H,9H2,1-3H3
InChIKeyKFSQDRZYMQZJKB-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 65482959
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
N-[(4-tert-butylphenyl)methyl]-2-chloro-4-methylpyridin-3-amine
CID 65484317
2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine
CID 133372087
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide
CID 65483750
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
CID 65484698
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 22640045
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine (CID 65484321) is 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine is COc1ccc(CNc2c(C)ccnc2Cl)cc1C.
What is the InChIKey of 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is KFSQDRZYMQZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-6-7-17-15(16)14(10)18-9-12-4-5-13(19-3)11(2)8-12/h4-8,18H,9H2,1-3H3.
What are the key properties of 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine?
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 276.77 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65484321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).