1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine

C20H19ClN2O — CID 4720031

IUPAC1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESClc1ccc(COc2ccccc2CNCc2ccccn2)cc1
InChIInChI=1S/C20H19ClN2O/c21-18-10-8-16(9-11-18)15-24-20-7-2-1-5-17(20)13-22-14-19-6-3-4-12-23-19/h1-12,22H,13-15H2
InChIKeyAYPTWCHUPZCUEE-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.60
Rot. Bonds7

About 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine

1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 4720031) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID4720031
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESClc1ccc(COc2ccccc2CNCc2ccccn2)cc1
InChIInChI=1S/C20H19ClN2O/c21-18-10-8-16(9-11-18)15-24-20-7-2-1-5-17(20)13-22-14-19-6-3-4-12-23-19/h1-12,22H,13-15H2
InChIKeyAYPTWCHUPZCUEE-UHFFFAOYSA-N
XLogP4.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 4720031) is 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine is Clc1ccc(COc2ccccc2CNCc2ccccn2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is AYPTWCHUPZCUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-18-10-8-16(9-11-18)15-24-20-7-2-1-5-17(20)13-22-14-19-6-3-4-12-23-19/h1-12,22H,13-15H2.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 338.84 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 4720031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).