(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine

C12H16ClN — CID 10954799

IUPAC(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
SMILESCC(C)C(N)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-9(2)12(14)8-5-10-3-6-11(13)7-4-10/h3-9,12H,14H2,1-2H3/b8-5+
InChIKeyZWSSUGSNJAEFLS-VMPITWQZSA-N
MW209.72 g/mol
LogP3.34
Rot. Bonds3

About (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine

(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine (PubChem CID 10954799) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
PubChem CID10954799
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
SMILESCC(C)C(N)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-9(2)12(14)8-5-10-3-6-11(13)7-4-10/h3-9,12H,14H2,1-2H3/b8-5+
InChIKeyZWSSUGSNJAEFLS-VMPITWQZSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-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)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine?
The IUPAC name of (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine (CID 10954799) is (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine is CC(C)C(N)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine?
The InChIKey is ZWSSUGSNJAEFLS-VMPITWQZSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9(2)12(14)8-5-10-3-6-11(13)7-4-10/h3-9,12H,14H2,1-2H3/b8-5+.
What are the key properties of (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine?
(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine has a molecular weight of 209.72 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine is sourced from PubChem (CID 10954799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).