3-(2-chlorophenyl)aniline;ethane

C14H16ClN — CID 142211425

IUPAC3-(2-chlorophenyl)aniline;ethane
SMILESCC.Nc1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C12H10ClN.C2H6/c13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9;1-2/h1-8H,14H2;1-2H3
InChIKeyULDGJXDSFLPDBJ-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.62
Rot. Bonds1

About 3-(2-chlorophenyl)aniline;ethane

3-(2-chlorophenyl)aniline;ethane (PubChem CID 142211425) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)aniline;ethane.

Molecular Properties

Compound Name3-(2-chlorophenyl)aniline;ethane
PubChem CID142211425
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name3-(2-chlorophenyl)aniline;ethane
SMILESCC.Nc1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C12H10ClN.C2H6/c13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9;1-2/h1-8H,14H2;1-2H3
InChIKeyULDGJXDSFLPDBJ-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-chlorophenyl)aniline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206
3-[2-(2-methylphenyl)phenyl]aniline
CID 174293524
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
3-(2-methylsulfanylphenyl)aniline
CID 68788837
2,6-dichloro-4-(2-chlorophenyl)aniline
CID 66997456
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
3-(3-aminophenyl)aniline;sulfane
CID 175159845
2-(2-chlorophenyl)benzene-1,4-diamine
CID 18371389
3-chloro-4-phenylaniline;hydrochloride
CID 91622859
6-(3-aminophenyl)-2,3-dimethylaniline
CID 68785658
3-[3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542690

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)aniline;ethane?
The IUPAC name of 3-(2-chlorophenyl)aniline;ethane (CID 142211425) is 3-(2-chlorophenyl)aniline;ethane.
What is the SMILES notation for 3-(2-chlorophenyl)aniline;ethane?
The canonical SMILES for 3-(2-chlorophenyl)aniline;ethane is CC.Nc1cccc(-c2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)aniline;ethane?
The InChIKey is ULDGJXDSFLPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN.C2H6/c13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9;1-2/h1-8H,14H2;1-2H3.
What are the key properties of 3-(2-chlorophenyl)aniline;ethane?
3-(2-chlorophenyl)aniline;ethane has a molecular weight of 233.74 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)aniline;ethane is sourced from PubChem (CID 142211425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).