[2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine

C14H15ClN2O — CID 65126764

IUPAC[2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2O/c1-10-2-5-12(8-16)14(17-10)18-9-11-3-6-13(15)7-4-11/h2-7H,8-9,16H2,1H3
InChIKeyPQHFWGBYLWZTJO-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.08
Rot. Bonds4

About [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine

[2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine (PubChem CID 65126764) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
PubChem CID65126764
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2O/c1-10-2-5-12(8-16)14(17-10)18-9-11-3-6-13(15)7-4-11/h2-7H,8-9,16H2,1H3
InChIKeyPQHFWGBYLWZTJO-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine (CID 65126764) is [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine is Cc1ccc(CN)c(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine?
The InChIKey is PQHFWGBYLWZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-2-5-12(8-16)14(17-10)18-9-11-3-6-13(15)7-4-11/h2-7H,8-9,16H2,1H3.
What are the key properties of [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine?
[2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine has a molecular weight of 262.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 65126764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).