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

C20H17Cl2NO — CID 174932944

IUPAC2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CN(c2cccc(Cl)c2)c2ccccc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO/c1-24-18-11-9-15(10-12-18)14-23(17-6-4-5-16(21)13-17)20-8-3-2-7-19(20)22/h2-13H,14H2,1H3
InChIKeyTTXLLDZHEIWGRZ-UHFFFAOYSA-N
MW358.27 g/mol
LogP6.34
Rot. Bonds5

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

2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 174932944) has the molecular formula C20H17Cl2NO and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID174932944
Molecular FormulaC20H17Cl2NO
Molecular Weight358.27 g/mol
Exact Mass357.07
IUPAC Name2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CN(c2cccc(Cl)c2)c2ccccc2Cl)cc1
InChIInChI=1S/C20H17Cl2NO/c1-24-18-11-9-15(10-12-18)14-23(17-6-4-5-16(21)13-17)20-8-3-2-7-19(20)22/h2-13H,14H2,1H3
InChIKeyTTXLLDZHEIWGRZ-UHFFFAOYSA-N
XLogP6.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-chloro-N-phenylaniline
CID 13283792
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
2-(bromomethyl)-3-chloro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081024
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
N-[(4-methoxyphenyl)methyl]-5-methyl-N-phenyl-1,2-oxazol-3-amine
CID 91053998
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline
CID 110455038
(N-(3-chlorophenyl)-4-methoxyanilino) acetate
CID 175350374
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline
CID 154621282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline (CID 174932944) is 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CN(c2cccc(Cl)c2)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is TTXLLDZHEIWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO/c1-24-18-11-9-15(10-12-18)14-23(17-6-4-5-16(21)13-17)20-8-3-2-7-19(20)22/h2-13H,14H2,1H3.
What are the key properties of 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline?
2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 358.27 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 174932944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).