3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine

C12H15N — CID 169473165

IUPAC3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine
SMILESC=Cc1cccc(C=CCNC)c1
InChIInChI=1S/C12H15N/c1-3-11-6-4-7-12(10-11)8-5-9-13-2/h3-8,10,13H,1,9H2,2H3
InChIKeyOZXGXJGQSBZABI-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.56
Rot. Bonds4

About 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine

3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine (PubChem CID 169473165) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine
PubChem CID169473165
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine
SMILESC=Cc1cccc(C=CCNC)c1
InChIInChI=1S/C12H15N/c1-3-11-6-4-7-12(10-11)8-5-9-13-2/h3-8,10,13H,1,9H2,2H3
InChIKeyOZXGXJGQSBZABI-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine (CID 169473165) is 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine is C=Cc1cccc(C=CCNC)c1.
What is the InChIKey of 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is OZXGXJGQSBZABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-11-6-4-7-12(10-11)8-5-9-13-2/h3-8,10,13H,1,9H2,2H3.
What are the key properties of 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine?
3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).