4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C14H17N3 — CID 68785889

IUPAC4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1cc(-c2ccccc2N)ccc1N
InChIInChI=1S/C14H17N3/c1-17(2)14-9-10(7-8-13(14)16)11-5-3-4-6-12(11)15/h3-9H,15-16H2,1-2H3
InChIKeyUHCNQBZIMVWLKY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.58
Rot. Bonds2

About 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine

4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 68785889) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID68785889
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1cc(-c2ccccc2N)ccc1N
InChIInChI=1S/C14H17N3/c1-17(2)14-9-10(7-8-13(14)16)11-5-3-4-6-12(11)15/h3-9H,15-16H2,1-2H3
InChIKeyUHCNQBZIMVWLKY-UHFFFAOYSA-N
XLogP2.58
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminophenyl)-2-methylaniline
CID 68793709
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 68788497
2-(3,4-dimethylphenyl)aniline;hydrochloride
CID 2758548
4-N,4-N-dimethyl-2-phenylbenzene-1,4-diamine
CID 18371357
2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154982020
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
5-(2-aminophenyl)-2-bromoaniline
CID 102241446
4-amino-3-(dimethylamino)benzoic acid
CID 82785522
2-phenanthren-3-ylaniline
CID 118107877
2-phenylaniline;hydrochloride
CID 5284347
palladium(2+);2-phenylaniline
CID 175718665

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 68785889) is 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1cc(-c2ccccc2N)ccc1N.
What is the InChIKey of 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is UHCNQBZIMVWLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(2)14-9-10(7-8-13(14)16)11-5-3-4-6-12(11)15/h3-9H,15-16H2,1-2H3.
What are the key properties of 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 68785889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).