4-(4-chlorophenyl)but-3-en-2-amine

C10H12ClN — CID 67270933

IUPAC4-(4-chlorophenyl)but-3-en-2-amine
SMILESCC(N)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8H,12H2,1H3
InChIKeyXTGRSNOKWGAPPK-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.70
Rot. Bonds2

About 4-(4-chlorophenyl)but-3-en-2-amine

4-(4-chlorophenyl)but-3-en-2-amine (PubChem CID 67270933) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 4-(4-chlorophenyl)but-3-en-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)but-3-en-2-amine
PubChem CID67270933
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name4-(4-chlorophenyl)but-3-en-2-amine
SMILESCC(N)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8H,12H2,1H3
InChIKeyXTGRSNOKWGAPPK-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
CID 10954799
(E,2R)-4-(4-methylphenyl)but-3-en-2-amine
CID 96955830
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285128
(3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285132
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
(E)-4-(4-phenylphenyl)but-3-en-2-amine
CID 83350140
(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid
CID 70434643
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)but-3-en-2-amine?
The IUPAC name of 4-(4-chlorophenyl)but-3-en-2-amine (CID 67270933) is 4-(4-chlorophenyl)but-3-en-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)but-3-en-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)but-3-en-2-amine is CC(N)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)but-3-en-2-amine?
The InChIKey is XTGRSNOKWGAPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8H,12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)but-3-en-2-amine?
4-(4-chlorophenyl)but-3-en-2-amine has a molecular weight of 181.67 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)but-3-en-2-amine is sourced from PubChem (CID 67270933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).