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

C9H10ClN — CID 12987192

IUPAC1-(4-chlorophenyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9H,1,11H2
InChIKeyBAXCOGNBMXIYCR-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.53
Rot. Bonds2

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

1-(4-chlorophenyl)prop-2-en-1-amine (PubChem CID 12987192) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)prop-2-en-1-amine
PubChem CID12987192
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name1-(4-chlorophenyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9H,1,11H2
InChIKeyBAXCOGNBMXIYCR-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55278214
1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55271412
(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171210030
1-pyridin-4-ylprop-2-en-1-amine
CID 55293732
(1S)-1-(4-tert-butylphenyl)prop-2-en-1-amine;hydrochloride
CID 171221389
4-[(1R)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171202442
4-[(1S)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171221995
(1R)-1-(4-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171212189
4-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171217684
4-[(1R)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171198176
2-(1-aminoprop-2-enyl)-4-chloroaniline
CID 55283411
(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
CID 171235699

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)prop-2-en-1-amine?
The IUPAC name of 1-(4-chlorophenyl)prop-2-en-1-amine (CID 12987192) is 1-(4-chlorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)prop-2-en-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)prop-2-en-1-amine is C=CC(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)prop-2-en-1-amine?
The InChIKey is BAXCOGNBMXIYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9H,1,11H2.
What are the key properties of 1-(4-chlorophenyl)prop-2-en-1-amine?
1-(4-chlorophenyl)prop-2-en-1-amine has a molecular weight of 167.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 12987192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).