4-(4-chlorophenyl)hex-3-en-1-amine

C12H16ClN — CID 76997304

IUPAC4-(4-chlorophenyl)hex-3-en-1-amine
SMILESCCC(=CCCN)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-2-10(4-3-9-14)11-5-7-12(13)8-6-11/h4-8H,2-3,9,14H2,1H3
InChIKeySWUDFCCMIVMCAR-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.48
Rot. Bonds4

About 4-(4-chlorophenyl)hex-3-en-1-amine

4-(4-chlorophenyl)hex-3-en-1-amine (PubChem CID 76997304) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)hex-3-en-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)hex-3-en-1-amine
PubChem CID76997304
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name4-(4-chlorophenyl)hex-3-en-1-amine
SMILESCCC(=CCCN)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-2-10(4-3-9-14)11-5-7-12(13)8-6-11/h4-8H,2-3,9,14H2,1H3
InChIKeySWUDFCCMIVMCAR-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
(E)-4-(4-chlorophenyl)pent-3-en-1-ol
CID 11995606
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine
CID 115034283
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
(E)-4-amino-3-(4-chlorophenyl)but-2-enoic acid
CID 6330869
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(E)-N-butan-2-yl-3-(4-chlorophenyl)pent-2-enamide
CID 177444041
(E)-4-(2-chlorophenyl)pent-3-en-1-amine
CID 82076101
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
CID 57250345

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)hex-3-en-1-amine?
The IUPAC name of 4-(4-chlorophenyl)hex-3-en-1-amine (CID 76997304) is 4-(4-chlorophenyl)hex-3-en-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)hex-3-en-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)hex-3-en-1-amine is CCC(=CCCN)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)hex-3-en-1-amine?
The InChIKey is SWUDFCCMIVMCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-2-10(4-3-9-14)11-5-7-12(13)8-6-11/h4-8H,2-3,9,14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)hex-3-en-1-amine?
4-(4-chlorophenyl)hex-3-en-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)hex-3-en-1-amine is sourced from PubChem (CID 76997304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).