4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline

C13H10Cl3N — CID 173098697

IUPAC4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline
SMILESCNc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H10Cl3N/c1-17-9-3-5-13(16)11(7-9)10-6-8(14)2-4-12(10)15/h2-7,17H,1H3
InChIKeyCRULRNFOXXRBCT-UHFFFAOYSA-N
MW286.59 g/mol
LogP5.36
Rot. Bonds2

About 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline

4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline (PubChem CID 173098697) has the molecular formula C13H10Cl3N and a molecular weight of 286.59 g/mol. Its IUPAC name is 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline
PubChem CID173098697
Molecular FormulaC13H10Cl3N
Molecular Weight286.59 g/mol
Exact Mass284.99
IUPAC Name4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline
SMILESCNc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H10Cl3N/c1-17-9-3-5-13(16)11(7-9)10-6-8(14)2-4-12(10)15/h2-7,17H,1H3
InChIKeyCRULRNFOXXRBCT-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-methylaniline;formaldehyde
CID 153392117
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
CID 43332038
4-(4-chlorophenyl)-N-methylaniline;hydrochloride
CID 137319755
3,4-difluoro-N-methylaniline;ethane
CID 143398651
2,4-dichloro-N-methylaniline
CID 2800935
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
4-(4-chlorophenyl)sulfinyl-N-methylaniline
CID 53343997
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 114076281
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline?
The IUPAC name of 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline (CID 173098697) is 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline.
What is the SMILES notation for 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline?
The canonical SMILES for 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline is CNc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline?
The InChIKey is CRULRNFOXXRBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N/c1-17-9-3-5-13(16)11(7-9)10-6-8(14)2-4-12(10)15/h2-7,17H,1H3.
What are the key properties of 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline?
4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline has a molecular weight of 286.59 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline is sourced from PubChem (CID 173098697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).