(Z)-3-(4-chlorophenyl)prop-2-en-1-amine

C9H10ClN — CID 58952108

IUPAC(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
SMILESNC/C=C\c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H,7,11H2/b2-1-
InChIKeyREOOOVCJKPGNHZ-UPHRSURJSA-N
MW167.64 g/mol
LogP2.31
Rot. Bonds2

About (Z)-3-(4-chlorophenyl)prop-2-en-1-amine

(Z)-3-(4-chlorophenyl)prop-2-en-1-amine (PubChem CID 58952108) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
PubChem CID58952108
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
SMILESNC/C=C\c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H,7,11H2/b2-1-
InChIKeyREOOOVCJKPGNHZ-UPHRSURJSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (Z)-3-(4-chlorophenyl)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

Related Compounds

3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine
CID 56978617
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
(Z)-3-(4-bromophenyl)prop-2-en-1-amine
CID 124584834
2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfanylethanamine
CID 58684817
(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088
(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
CID 63969673
1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
CID 14044887
1-chloro-4-[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 131234815
1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene
CID 70468430
1-chloro-4-(4-methylpent-1-enyl)benzene
CID 156766327
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
(E)-3-[4-(3-aminoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169464031

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-(4-chlorophenyl)prop-2-en-1-amine (CID 58952108) is (Z)-3-(4-chlorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-chlorophenyl)prop-2-en-1-amine is NC/C=C\c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)prop-2-en-1-amine?
The InChIKey is REOOOVCJKPGNHZ-UPHRSURJSA-N. The full InChI is InChI=1S/C9H10ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H,7,11H2/b2-1-.
What are the key properties of (Z)-3-(4-chlorophenyl)prop-2-en-1-amine?
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine has a molecular weight of 167.64 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 58952108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).