(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine

C13H13ClN2O — CID 105086338

IUPAC(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccncc2Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-17-10-4-2-3-9(7-10)13(15)11-5-6-16-8-12(11)14/h2-8,13H,15H2,1H3
InChIKeyIKCIONCGAQZZTP-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.79
Rot. Bonds3

About (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine

(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine (PubChem CID 105086338) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
PubChem CID105086338
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccncc2Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-17-10-4-2-3-9(7-10)13(15)11-5-6-16-8-12(11)14/h2-8,13H,15H2,1H3
InChIKeyIKCIONCGAQZZTP-UHFFFAOYSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
CID 114028288
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
CID 105143419
(3-cyclopropyloxyphenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066137
(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105179062
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine (CID 105086338) is (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2ccncc2Cl)c1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine?
The InChIKey is IKCIONCGAQZZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-17-10-4-2-3-9(7-10)13(15)11-5-6-16-8-12(11)14/h2-8,13H,15H2,1H3.
What are the key properties of (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine?
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine has a molecular weight of 248.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 105086338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).