2-(2-chlorophenyl)prop-1-en-1-amine

C9H10ClN — CID 174405971

IUPAC2-(2-chlorophenyl)prop-1-en-1-amine
SMILESCC(=CN)c1ccccc1Cl
InChIInChI=1S/C9H10ClN/c1-7(6-11)8-4-2-3-5-9(8)10/h2-6H,11H2,1H3
InChIKeySPROHGMBGCJVIG-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.66
Rot. Bonds1

About 2-(2-chlorophenyl)prop-1-en-1-amine

2-(2-chlorophenyl)prop-1-en-1-amine (PubChem CID 174405971) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-(2-chlorophenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)prop-1-en-1-amine
PubChem CID174405971
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-(2-chlorophenyl)prop-1-en-1-amine
SMILESCC(=CN)c1ccccc1Cl
InChIInChI=1S/C9H10ClN/c1-7(6-11)8-4-2-3-5-9(8)10/h2-6H,11H2,1H3
InChIKeySPROHGMBGCJVIG-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chlorophenyl)prop-1-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

Related Compounds

(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine
CID 163539195
(E)-4-(2-chlorophenyl)pent-3-en-1-amine
CID 82076101
3-(2-chlorophenyl)but-2-enenitrile
CID 76913812
1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
CID 79018892
2-(2-chlorophenyl)-2-phenylethenamine
CID 174393832
1-chloro-2-(3-methylbut-2-en-2-yl)benzene
CID 139836771
2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine
CID 14947053
(Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine
CID 144603923
[(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate
CID 10966648
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
2,6-bis[(Z)-1-chloroprop-1-en-2-yl]phenol
CID 88610396
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)prop-1-en-1-amine?
The IUPAC name of 2-(2-chlorophenyl)prop-1-en-1-amine (CID 174405971) is 2-(2-chlorophenyl)prop-1-en-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)prop-1-en-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)prop-1-en-1-amine is CC(=CN)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)prop-1-en-1-amine?
The InChIKey is SPROHGMBGCJVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-7(6-11)8-4-2-3-5-9(8)10/h2-6H,11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)prop-1-en-1-amine?
2-(2-chlorophenyl)prop-1-en-1-amine has a molecular weight of 167.64 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)prop-1-en-1-amine is sourced from PubChem (CID 174405971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).