4-(4-chlorophenyl)-2,5-dimethylaniline

C14H14ClN — CID 23381822

IUPAC4-(4-chlorophenyl)-2,5-dimethylaniline
SMILESCc1cc(-c2ccc(Cl)cc2)c(C)cc1N
InChIInChI=1S/C14H14ClN/c1-9-8-14(16)10(2)7-13(9)11-3-5-12(15)6-4-11/h3-8H,16H2,1-2H3
InChIKeyTZSAYYXTOXWRJL-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.21
Rot. Bonds1

About 4-(4-chlorophenyl)-2,5-dimethylaniline

4-(4-chlorophenyl)-2,5-dimethylaniline (PubChem CID 23381822) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,5-dimethylaniline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,5-dimethylaniline
PubChem CID23381822
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-(4-chlorophenyl)-2,5-dimethylaniline
SMILESCc1cc(-c2ccc(Cl)cc2)c(C)cc1N
InChIInChI=1S/C14H14ClN/c1-9-8-14(16)10(2)7-13(9)11-3-5-12(15)6-4-11/h3-8H,16H2,1-2H3
InChIKeyTZSAYYXTOXWRJL-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.21
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

4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
CID 54482332
4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
CID 89203284
4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline
CID 171916633
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
2-tert-butyl-4-(4-fluorophenyl)-5-methylaniline
CID 67962216
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
5-(3-chlorophenyl)-2-fluoro-4-methylaniline
CID 168928680
5-(4-chlorophenyl)-6-methylpyridin-3-amine
CID 165369043
4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline
CID 70283207
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,5-dimethylaniline?
The IUPAC name of 4-(4-chlorophenyl)-2,5-dimethylaniline (CID 23381822) is 4-(4-chlorophenyl)-2,5-dimethylaniline.
What is the SMILES notation for 4-(4-chlorophenyl)-2,5-dimethylaniline?
The canonical SMILES for 4-(4-chlorophenyl)-2,5-dimethylaniline is Cc1cc(-c2ccc(Cl)cc2)c(C)cc1N.
What is the InChIKey of 4-(4-chlorophenyl)-2,5-dimethylaniline?
The InChIKey is TZSAYYXTOXWRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-9-8-14(16)10(2)7-13(9)11-3-5-12(15)6-4-11/h3-8H,16H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2,5-dimethylaniline?
4-(4-chlorophenyl)-2,5-dimethylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,5-dimethylaniline is sourced from PubChem (CID 23381822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).