(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine

C12H15NO — CID 117281499

IUPAC(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(OC2CC2)cc1
InChIInChI=1S/C12H15NO/c13-9-1-2-10-3-5-11(6-4-10)14-12-7-8-12/h1-6,12H,7-9,13H2/b2-1+
InChIKeyHIABKWMWIMWUMI-OWOJBTEDSA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds4

About (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine

(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine (PubChem CID 117281499) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine
PubChem CID117281499
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(OC2CC2)cc1
InChIInChI=1S/C12H15NO/c13-9-1-2-10-3-5-11(6-4-10)14-12-7-8-12/h1-6,12H,7-9,13H2/b2-1+
InChIKeyHIABKWMWIMWUMI-OWOJBTEDSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-(4-cyclopropyloxyphenyl)prop-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 (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine (CID 117281499) is (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine is NC/C=C/c1ccc(OC2CC2)cc1.
What is the InChIKey of (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine?
The InChIKey is HIABKWMWIMWUMI-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H15NO/c13-9-1-2-10-3-5-11(6-4-10)14-12-7-8-12/h1-6,12H,7-9,13H2/b2-1+.
What are the key properties of (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine?
(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117281499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).