1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

C21H22Cl2N2O2 — CID 2968829

IUPAC1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C21H21ClN2O2.ClH/c1-25-21-12-17(13-23-14-19-4-2-3-11-24-19)7-10-20(21)26-15-16-5-8-18(22)9-6-16;/h2-12,23H,13-15H2,1H3;1H
InChIKeyKQZGTEZXXWJCNJ-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.03
Rot. Bonds8

About 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (PubChem CID 2968829) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
PubChem CID2968829
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C21H21ClN2O2.ClH/c1-25-21-12-17(13-23-14-19-4-2-3-11-24-19)7-10-20(21)26-15-16-5-8-18(22)9-6-16;/h2-12,23H,13-15H2,1H3;1H
InChIKeyKQZGTEZXXWJCNJ-UHFFFAOYSA-N
XLogP5.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride (CID 2968829) is 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is KQZGTEZXXWJCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2.ClH/c1-25-21-12-17(13-23-14-19-4-2-3-11-24-19)7-10-20(21)26-15-16-5-8-18(22)9-6-16;/h2-12,23H,13-15H2,1H3;1H.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride?
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 405.33 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 2968829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).