3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline

C15H16ClN — CID 107579824

IUPAC3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C15H16ClN/c1-9-4-12(8-13(17)5-9)14-6-10(2)11(3)7-15(14)16/h4-8H,17H2,1-3H3
InChIKeyYJGNPKIJMHRQDK-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.51
Rot. Bonds1

About 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline

3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline (PubChem CID 107579824) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline.

Molecular Properties

Compound Name3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline
PubChem CID107579824
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C15H16ClN/c1-9-4-12(8-13(17)5-9)14-6-10(2)11(3)7-15(14)16/h4-8H,17H2,1-3H3
InChIKeyYJGNPKIJMHRQDK-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dichlorophenyl)-5-methylaniline
CID 107579462
3-(2,4-difluoro-5-methylphenyl)-5-methylaniline
CID 107579819
2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline
CID 107607819
3-(3,4-dichlorophenyl)-5-methylaniline
CID 107579512
3-(3-chlorothiophen-2-yl)-5-methylaniline
CID 107579738
1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene
CID 134627246
3,5-dimethylaniline;hydrofluoride
CID 158073989
3-(3-chloro-5-methylphenyl)-4-methylaniline
CID 168929522
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090
3-chloro-5-methylaniline;ethane
CID 142083431
3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline
CID 107579808
2-chloro-4,5-dimethylaniline
CID 53416768

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline?
The IUPAC name of 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline (CID 107579824) is 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline.
What is the SMILES notation for 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline?
The canonical SMILES for 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline is Cc1cc(N)cc(-c2cc(C)c(C)cc2Cl)c1.
What is the InChIKey of 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline?
The InChIKey is YJGNPKIJMHRQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-9-4-12(8-13(17)5-9)14-6-10(2)11(3)7-15(14)16/h4-8H,17H2,1-3H3.
What are the key properties of 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline?
3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline has a molecular weight of 245.75 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline is sourced from PubChem (CID 107579824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).