N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline

C20H17Cl2NO — CID 126121688

IUPACN-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(COc2ccc(CNc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO/c21-17-9-6-15(7-10-17)14-24-20-11-8-16(12-19(20)22)13-23-18-4-2-1-3-5-18/h1-12,23H,13-14H2
InChIKeyIVTPBCVUPIUKGQ-UHFFFAOYSA-N
MW358.27 g/mol
LogP6.18
Rot. Bonds6

About N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126121688) has the molecular formula C20H17Cl2NO and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126121688
Molecular FormulaC20H17Cl2NO
Molecular Weight358.27 g/mol
Exact Mass357.07
IUPAC NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(COc2ccc(CNc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO/c21-17-9-6-15(7-10-17)14-24-20-11-8-16(12-19(20)22)13-23-18-4-2-1-3-5-18/h1-12,23H,13-14H2
InChIKeyIVTPBCVUPIUKGQ-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-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126190527
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128389
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126202114
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
N-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methyl]aniline
CID 126116599
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126127595
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline (CID 126121688) is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline is Clc1ccc(COc2ccc(CNc3ccccc3)cc2Cl)cc1.
What is the InChIKey of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is IVTPBCVUPIUKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO/c21-17-9-6-15(7-10-17)14-24-20-11-8-16(12-19(20)22)13-23-18-4-2-1-3-5-18/h1-12,23H,13-14H2.
What are the key properties of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
N-[[3-chloro-4-[(4-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 N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126121688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).