N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine

C21H21ClN2O2 — CID 3162171

IUPACN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-25-21-12-18(14-24-13-16-8-10-23-11-9-16)4-7-20(21)26-15-17-2-5-19(22)6-3-17/h2-12,24H,13-15H2,1H3
InChIKeyWQKKJLNOWMZBOW-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.61
Rot. Bonds8

About N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 3162171) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID3162171
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c1-25-21-12-18(14-24-13-16-8-10-23-11-9-16)4-7-20(21)26-15-17-2-5-19(22)6-3-17/h2-12,24H,13-15H2,1H3
InChIKeyWQKKJLNOWMZBOW-UHFFFAOYSA-N
XLogP4.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine (CID 3162171) is N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is WQKKJLNOWMZBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-25-21-12-18(14-24-13-16-8-10-23-11-9-16)4-7-20(21)26-15-17-2-5-19(22)6-3-17/h2-12,24H,13-15H2,1H3.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine?
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 368.86 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 3162171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).