N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine

C21H20ClNO — CID 4721375

IUPACN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
SMILESClc1ccc(COc2ccccc2CNCc2ccccc2)cc1
InChIInChI=1S/C21H20ClNO/c22-20-12-10-18(11-13-20)16-24-21-9-5-4-8-19(21)15-23-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2
InChIKeyBXAGAMFYEFKOII-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.21
Rot. Bonds7

About N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine (PubChem CID 4721375) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
PubChem CID4721375
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
SMILESClc1ccc(COc2ccccc2CNCc2ccccc2)cc1
InChIInChI=1S/C21H20ClNO/c22-20-12-10-18(11-13-20)16-24-21-9-5-4-8-19(21)15-23-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2
InChIKeyBXAGAMFYEFKOII-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718122
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-cyclopropylmethanamine
CID 57269923
2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786
1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331629
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720041
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine
CID 66529232

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine (CID 4721375) is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine is Clc1ccc(COc2ccccc2CNCc2ccccc2)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine?
The InChIKey is BXAGAMFYEFKOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c22-20-12-10-18(11-13-20)16-24-21-9-5-4-8-19(21)15-23-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine?
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine has a molecular weight of 337.85 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 4721375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).