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

C20H16Cl3NO — CID 126190527

IUPAC2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1
InChIInChI=1S/C20H16Cl3NO/c21-16-8-5-14(6-9-16)13-25-20-10-7-15(11-18(20)23)12-24-19-4-2-1-3-17(19)22/h1-11,24H,12-13H2
InChIKeyVTCQYAZASNCEAM-UHFFFAOYSA-N
MW392.71 g/mol
LogP6.84
Rot. Bonds6

About 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline

2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126190527) has the molecular formula C20H16Cl3NO and a molecular weight of 392.71 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126190527
Molecular FormulaC20H16Cl3NO
Molecular Weight392.71 g/mol
Exact Mass391.03
IUPAC Name2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1
InChIInChI=1S/C20H16Cl3NO/c21-16-8-5-14(6-9-16)13-25-20-10-7-15(11-18(20)23)12-24-19-4-2-1-3-17(19)22/h1-11,24H,12-13H2
InChIKeyVTCQYAZASNCEAM-UHFFFAOYSA-N
XLogP6.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.71
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980
3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123855
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128389
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126184186
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126125272
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]-2-chloroaniline
CID 3906390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline (CID 126190527) is 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline is Clc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is VTCQYAZASNCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3NO/c21-16-8-5-14(6-9-16)13-25-20-10-7-15(11-18(20)23)12-24-19-4-2-1-3-17(19)22/h1-11,24H,12-13H2.
What are the key properties of 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline?
2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 392.71 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126190527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).