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

C14H12Cl3N — CID 28545153

IUPAC4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
SMILESCc1cc(Cl)ccc1NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl3N/c1-9-6-11(15)3-5-14(9)18-8-10-2-4-12(16)13(17)7-10/h2-7,18H,8H2,1H3
InChIKeyKJKVURBKAFWXAX-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.57
Rot. Bonds3

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

4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline (PubChem CID 28545153) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
PubChem CID28545153
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
SMILESCc1cc(Cl)ccc1NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl3N/c1-9-6-11(15)3-5-14(9)18-8-10-2-4-12(16)13(17)7-10/h2-7,18H,8H2,1H3
InChIKeyKJKVURBKAFWXAX-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine
CID 14953004
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
N-[(3,4-dichlorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28546142
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200
4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399769
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
CID 107740487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline?
The IUPAC name of 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline (CID 28545153) is 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline is Cc1cc(Cl)ccc1NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline?
The InChIKey is KJKVURBKAFWXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-9-6-11(15)3-5-14(9)18-8-10-2-4-12(16)13(17)7-10/h2-7,18H,8H2,1H3.
What are the key properties of 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline?
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline has a molecular weight of 300.62 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 28545153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).