3,4-bis(ethenyl)-2-propan-2-ylaniline

C13H17N — CID 144871801

IUPAC3,4-bis(ethenyl)-2-propan-2-ylaniline
SMILESC=Cc1ccc(N)c(C(C)C)c1C=C
InChIInChI=1S/C13H17N/c1-5-10-7-8-12(14)13(9(3)4)11(10)6-2/h5-9H,1-2,14H2,3-4H3
InChIKeyITUYGTVVXHKFKB-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.68
Rot. Bonds3

About 3,4-bis(ethenyl)-2-propan-2-ylaniline

3,4-bis(ethenyl)-2-propan-2-ylaniline (PubChem CID 144871801) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-2-propan-2-ylaniline.

Molecular Properties

Compound Name3,4-bis(ethenyl)-2-propan-2-ylaniline
PubChem CID144871801
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3,4-bis(ethenyl)-2-propan-2-ylaniline
SMILESC=Cc1ccc(N)c(C(C)C)c1C=C
InChIInChI=1S/C13H17N/c1-5-10-7-8-12(14)13(9(3)4)11(10)6-2/h5-9H,1-2,14H2,3-4H3
InChIKeyITUYGTVVXHKFKB-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-bis(ethenyl)-2-propan-2-ylaniline 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

2-bromo-3,4-bis(ethenyl)aniline
CID 166695071
3-propan-2-ylbenzene-1,2,4-triamine
CID 66850331
2,3-bis(ethenyl)aniline
CID 22666736
4-ethenyl-2,3-diethylaniline
CID 70188085
2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene
CID 142450771
2-ethenyl-5-ethylaniline
CID 142605746
3,4,5,6-tetrakis(ethenyl)phenanthrene
CID 143743555
2-chloro-1,3,4-tris(ethenyl)benzene
CID 21434290
6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde
CID 151812227
2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 143565766
3-chloro-1,2-bis(ethenyl)-4-methylbenzene
CID 156751029
3-bromo-2-ethenyl-4-methylaniline
CID 154990614

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-2-propan-2-ylaniline?
The IUPAC name of 3,4-bis(ethenyl)-2-propan-2-ylaniline (CID 144871801) is 3,4-bis(ethenyl)-2-propan-2-ylaniline.
What is the SMILES notation for 3,4-bis(ethenyl)-2-propan-2-ylaniline?
The canonical SMILES for 3,4-bis(ethenyl)-2-propan-2-ylaniline is C=Cc1ccc(N)c(C(C)C)c1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-2-propan-2-ylaniline?
The InChIKey is ITUYGTVVXHKFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-5-10-7-8-12(14)13(9(3)4)11(10)6-2/h5-9H,1-2,14H2,3-4H3.
What are the key properties of 3,4-bis(ethenyl)-2-propan-2-ylaniline?
3,4-bis(ethenyl)-2-propan-2-ylaniline has a molecular weight of 187.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-2-propan-2-ylaniline is sourced from PubChem (CID 144871801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).