3-(1-aminoethenyl)-4-methylaniline

C9H12N2 — CID 134441825

IUPAC3-(1-aminoethenyl)-4-methylaniline
SMILESC=C(N)c1cc(N)ccc1C
InChIInChI=1S/C9H12N2/c1-6-3-4-8(11)5-9(6)7(2)10/h3-5H,2,10-11H2,1H3
InChIKeyDZGUDTIBSPNFEQ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.51
Rot. Bonds1

About 3-(1-aminoethenyl)-4-methylaniline

3-(1-aminoethenyl)-4-methylaniline (PubChem CID 134441825) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-(1-aminoethenyl)-4-methylaniline.

Molecular Properties

Compound Name3-(1-aminoethenyl)-4-methylaniline
PubChem CID134441825
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-(1-aminoethenyl)-4-methylaniline
SMILESC=C(N)c1cc(N)ccc1C
InChIInChI=1S/C9H12N2/c1-6-3-4-8(11)5-9(6)7(2)10/h3-5H,2,10-11H2,1H3
InChIKeyDZGUDTIBSPNFEQ-UHFFFAOYSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-aminoethenyl)-4-methylaniline 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

1-(2,4,5-trimethylphenyl)ethenamine
CID 134277556
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
1-(5-amino-2-methylphenyl)-2-chloroethanone
CID 88924641
3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylaniline
CID 176940640
3-[(E)-1-amino-2-fluoro-3-methyliminoprop-1-enyl]-4-methylaniline
CID 176940731
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
3-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-enyl]-4-methylaniline
CID 176940536
4-methylbenzene-1,3-diamine
CID 159171817
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-2-methyl-N-methylsulfonylbenzamide
CID 18957755

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethenyl)-4-methylaniline?
The IUPAC name of 3-(1-aminoethenyl)-4-methylaniline (CID 134441825) is 3-(1-aminoethenyl)-4-methylaniline.
What is the SMILES notation for 3-(1-aminoethenyl)-4-methylaniline?
The canonical SMILES for 3-(1-aminoethenyl)-4-methylaniline is C=C(N)c1cc(N)ccc1C.
What is the InChIKey of 3-(1-aminoethenyl)-4-methylaniline?
The InChIKey is DZGUDTIBSPNFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-3-4-8(11)5-9(6)7(2)10/h3-5H,2,10-11H2,1H3.
What are the key properties of 3-(1-aminoethenyl)-4-methylaniline?
3-(1-aminoethenyl)-4-methylaniline has a molecular weight of 148.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethenyl)-4-methylaniline is sourced from PubChem (CID 134441825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).