N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline

C21H20ClNO — CID 54801504

IUPACN-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
SMILESClc1ccc(CCNc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C21H20ClNO/c22-19-12-10-17(11-13-19)14-15-23-20-8-4-5-9-21(20)24-16-18-6-2-1-3-7-18/h1-13,23H,14-16H2
InChIKeyXZJSOIWGAOPQEK-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.57
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline

N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline (PubChem CID 54801504) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
PubChem CID54801504
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
SMILESClc1ccc(CCNc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C21H20ClNO/c22-19-12-10-17(11-13-19)14-15-23-20-8-4-5-9-21(20)24-16-18-6-2-1-3-7-18/h1-13,23H,14-16H2
InChIKeyXZJSOIWGAOPQEK-UHFFFAOYSA-N
XLogP5.57
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 ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
CID 54801515
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289851
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline (CID 54801504) is N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline is Clc1ccc(CCNc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline?
The InChIKey is XZJSOIWGAOPQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c22-19-12-10-17(11-13-19)14-15-23-20-8-4-5-9-21(20)24-16-18-6-2-1-3-7-18/h1-13,23H,14-16H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline?
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline has a molecular weight of 337.85 g/mol, XLogP of 5.57, 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)ethyl]-2-phenylmethoxyaniline is sourced from PubChem (CID 54801504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).