1-naphthalen-2-ylethenamine

C12H11N — CID 21343659

IUPAC1-naphthalen-2-ylethenamine
SMILESC=C(N)c1ccc2ccccc2c1
InChIInChI=1S/C12H11N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1,13H2
InChIKeyWZMDQTJOUNHACR-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.77
Rot. Bonds1

About 1-naphthalen-2-ylethenamine

1-naphthalen-2-ylethenamine (PubChem CID 21343659) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-naphthalen-2-ylethenamine.

Molecular Properties

Compound Name1-naphthalen-2-ylethenamine
PubChem CID21343659
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name1-naphthalen-2-ylethenamine
SMILESC=C(N)c1ccc2ccccc2c1
InChIInChI=1S/C12H11N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1,13H2
InChIKeyWZMDQTJOUNHACR-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-naphthalen-2-ylethenamine 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 1-naphthalen-2-ylethenamine?
The IUPAC name of 1-naphthalen-2-ylethenamine (CID 21343659) is 1-naphthalen-2-ylethenamine.
What is the SMILES notation for 1-naphthalen-2-ylethenamine?
The canonical SMILES for 1-naphthalen-2-ylethenamine is C=C(N)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylethenamine?
The InChIKey is WZMDQTJOUNHACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1,13H2.
What are the key properties of 1-naphthalen-2-ylethenamine?
1-naphthalen-2-ylethenamine has a molecular weight of 169.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylethenamine is sourced from PubChem (CID 21343659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).