3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline

C15H15Cl2N — CID 114075337

IUPAC3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2C)cc1Cl
InChIInChI=1S/C15H15Cl2N/c1-10-3-6-14(8-15(10)17)18-9-12-4-5-13(16)7-11(12)2/h3-8,18H,9H2,1-2H3
InChIKeyLFRAMLXVPLUODM-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.22
Rot. Bonds3

About 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline

3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline (PubChem CID 114075337) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
PubChem CID114075337
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(Cl)cc2C)cc1Cl
InChIInChI=1S/C15H15Cl2N/c1-10-3-6-14(8-15(10)17)18-9-12-4-5-13(16)7-11(12)2/h3-8,18H,9H2,1-2H3
InChIKeyLFRAMLXVPLUODM-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418316
3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
CID 66540125
2-[4-[(4-chloro-2-methylphenyl)methylamino]phenyl]acetonitrile
CID 104854012
N-[(4-chloro-2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 104854209
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
CID 104854338
N-benzyl-3-chloro-4-methylaniline
CID 18778604
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
CID 104854030

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline (CID 114075337) is 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline is Cc1ccc(NCc2ccc(Cl)cc2C)cc1Cl.
What is the InChIKey of 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline?
The InChIKey is LFRAMLXVPLUODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-3-6-14(8-15(10)17)18-9-12-4-5-13(16)7-11(12)2/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline?
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline has a molecular weight of 280.20 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 114075337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).