(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine

C14H15ClN2O — CID 79699404

IUPAC(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
SMILESCOc1cc(C(N)c2cc(C)ccn2)ccc1Cl
InChIInChI=1S/C14H15ClN2O/c1-9-5-6-17-12(7-9)14(16)10-3-4-11(15)13(8-10)18-2/h3-8,14H,16H2,1-2H3
InChIKeyMTCXNRFVWUTWKF-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.10
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine

(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine (PubChem CID 79699404) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
PubChem CID79699404
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
SMILESCOc1cc(C(N)c2cc(C)ccn2)ccc1Cl
InChIInChI=1S/C14H15ClN2O/c1-9-5-6-17-12(7-9)14(16)10-3-4-11(15)13(8-10)18-2/h3-8,14H,16H2,1-2H3
InChIKeyMTCXNRFVWUTWKF-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 55256587
(4-methylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840530
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103373770
(3-chlorophenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63839417
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
(4-methyl-2-pyridinyl)-phenylmethanamine
CID 571849
(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840532
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(4-tert-butylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105007084
(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680831

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine (CID 79699404) is (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine is COc1cc(C(N)c2cc(C)ccn2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine?
The InChIKey is MTCXNRFVWUTWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-5-6-17-12(7-9)14(16)10-3-4-11(15)13(8-10)18-2/h3-8,14H,16H2,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine?
(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine has a molecular weight of 262.74 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 79699404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).