2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine

C15H17ClN2O — CID 65483339

IUPAC2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
SMILESCOc1ccc(C(C)Nc2c(C)ccnc2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-10-8-9-17-15(16)14(10)18-11(2)12-4-6-13(19-3)7-5-12/h4-9,11,18H,1-3H3
InChIKeyNMKMEQFNKJEJLS-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.23
Rot. Bonds4

About 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine

2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine (PubChem CID 65483339) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
PubChem CID65483339
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
SMILESCOc1ccc(C(C)Nc2c(C)ccnc2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-10-8-9-17-15(16)14(10)18-11(2)12-4-6-13(19-3)7-5-12/h4-9,11,18H,1-3H3
InChIKeyNMKMEQFNKJEJLS-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine
CID 65484915
4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 65482779
5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65483753
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041915
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674854
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 65484697
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine (CID 65483339) is 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine is COc1ccc(C(C)Nc2c(C)ccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine?
The InChIKey is NMKMEQFNKJEJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-8-9-17-15(16)14(10)18-11(2)12-4-6-13(19-3)7-5-12/h4-9,11,18H,1-3H3.
What are the key properties of 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine?
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine has a molecular weight of 276.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65483339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).