2-(3,4-dimethylphenyl)aniline;hydrochloride

C14H16ClN — CID 2758548

IUPAC2-(3,4-dimethylphenyl)aniline;hydrochloride
SMILESCc1ccc(-c2ccccc2N)cc1C.Cl
InChIInChI=1S/C14H15N.ClH/c1-10-7-8-12(9-11(10)2)13-5-3-4-6-14(13)15;/h3-9H,15H2,1-2H3;1H
InChIKeyPHAVUEGSQXAONE-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.97
Rot. Bonds1

About 2-(3,4-dimethylphenyl)aniline;hydrochloride

2-(3,4-dimethylphenyl)aniline;hydrochloride (PubChem CID 2758548) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)aniline;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)aniline;hydrochloride
PubChem CID2758548
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name2-(3,4-dimethylphenyl)aniline;hydrochloride
SMILESCc1ccc(-c2ccccc2N)cc1C.Cl
InChIInChI=1S/C14H15N.ClH/c1-10-7-8-12(9-11(10)2)13-5-3-4-6-14(13)15;/h3-9H,15H2,1-2H3;1H
InChIKeyPHAVUEGSQXAONE-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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

o-Tolidine
CID 8413
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2,4-Dimethylaniline
CID 7250
1-Naphthylamine
CID 8640
2-Aminobiphenyl
CID 7015
2,4,5-Trimethylaniline
CID 8717
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
2,6-Diethylaniline
CID 11369
2-Ethylaniline
CID 11357
3,3',5,5'-Tetramethylbenzidine
CID 41206
2,3-Dimethylaniline
CID 6893

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)aniline;hydrochloride?
The IUPAC name of 2-(3,4-dimethylphenyl)aniline;hydrochloride (CID 2758548) is 2-(3,4-dimethylphenyl)aniline;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylphenyl)aniline;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylphenyl)aniline;hydrochloride is Cc1ccc(-c2ccccc2N)cc1C.Cl.
What is the InChIKey of 2-(3,4-dimethylphenyl)aniline;hydrochloride?
The InChIKey is PHAVUEGSQXAONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.ClH/c1-10-7-8-12(9-11(10)2)13-5-3-4-6-14(13)15;/h3-9H,15H2,1-2H3;1H.
What are the key properties of 2-(3,4-dimethylphenyl)aniline;hydrochloride?
2-(3,4-dimethylphenyl)aniline;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)aniline;hydrochloride is sourced from PubChem (CID 2758548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).