2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline

C13H9Cl4N — CID 13339999

IUPAC2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(CNc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl4N/c14-9-2-1-8(11(16)5-9)7-18-13-4-3-10(15)6-12(13)17/h1-6,18H,7H2
InChIKeyHJWYDVJKSDHDSL-UHFFFAOYSA-N
MW321.03 g/mol
LogP5.91
Rot. Bonds3

About 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline

2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline (PubChem CID 13339999) has the molecular formula C13H9Cl4N and a molecular weight of 321.03 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
PubChem CID13339999
Molecular FormulaC13H9Cl4N
Molecular Weight321.03 g/mol
Exact Mass318.95
IUPAC Name2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(CNc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl4N/c14-9-2-1-8(11(16)5-9)7-18-13-4-3-10(15)6-12(13)17/h1-6,18H,7H2
InChIKeyHJWYDVJKSDHDSL-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.03
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-nitroaniline
CID 43218114
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 55198626
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
CID 43229972
3-bromo-4-[(2,4-dichlorophenyl)methylamino]benzonitrile
CID 43722738
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 79979680
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2-bromo-N-[(2,4-dichlorophenyl)methyl]-4-nitroaniline
CID 43742260

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline (CID 13339999) is 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline is Clc1ccc(CNc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline?
The InChIKey is HJWYDVJKSDHDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl4N/c14-9-2-1-8(11(16)5-9)7-18-13-4-3-10(15)6-12(13)17/h1-6,18H,7H2.
What are the key properties of 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline?
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline has a molecular weight of 321.03 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 13339999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).