2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline

C20H17Cl2NO — CID 126186662

IUPAC2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO/c21-18-6-2-1-5-16(18)14-24-17-11-9-15(10-12-17)13-23-20-8-4-3-7-19(20)22/h1-12,23H,13-14H2
InChIKeyWWRJTKQUBPQDSO-UHFFFAOYSA-N
MW358.27 g/mol
LogP6.18
Rot. Bonds6

About 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline

2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126186662) has the molecular formula C20H17Cl2NO and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126186662
Molecular FormulaC20H17Cl2NO
Molecular Weight358.27 g/mol
Exact Mass357.07
IUPAC Name2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO/c21-18-6-2-1-5-16(18)14-24-17-11-9-15(10-12-17)13-23-20-8-4-3-7-19(20)22/h1-12,23H,13-14H2
InChIKeyWWRJTKQUBPQDSO-UHFFFAOYSA-N
XLogP6.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126186089
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385676
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 4715574
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717043
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6461106
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312
5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211517

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline (CID 126186662) is 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline is Clc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is WWRJTKQUBPQDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO/c21-18-6-2-1-5-16(18)14-24-17-11-9-15(10-12-17)13-23-20-8-4-3-7-19(20)22/h1-12,23H,13-14H2.
What are the key properties of 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline?
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 358.27 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126186662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).