(E)-4-(2-chlorophenyl)pent-3-en-1-amine

C11H14ClN — CID 82076101

IUPAC(E)-4-(2-chlorophenyl)pent-3-en-1-amine
SMILESC/C(=C\CCN)c1ccccc1Cl
InChIInChI=1S/C11H14ClN/c1-9(5-4-8-13)10-6-2-3-7-11(10)12/h2-3,5-7H,4,8,13H2,1H3/b9-5+
InChIKeyOTAGYYJPXUUICE-WEVVVXLNSA-N
MW195.69 g/mol
LogP3.09
Rot. Bonds3

About (E)-4-(2-chlorophenyl)pent-3-en-1-amine

(E)-4-(2-chlorophenyl)pent-3-en-1-amine (PubChem CID 82076101) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (E)-4-(2-chlorophenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-chlorophenyl)pent-3-en-1-amine
PubChem CID82076101
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(E)-4-(2-chlorophenyl)pent-3-en-1-amine
SMILESC/C(=C\CCN)c1ccccc1Cl
InChIInChI=1S/C11H14ClN/c1-9(5-4-8-13)10-6-2-3-7-11(10)12/h2-3,5-7H,4,8,13H2,1H3/b9-5+
InChIKeyOTAGYYJPXUUICE-WEVVVXLNSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-chlorophenyl)pent-3-en-1-amine?
The IUPAC name of (E)-4-(2-chlorophenyl)pent-3-en-1-amine (CID 82076101) is (E)-4-(2-chlorophenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-4-(2-chlorophenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-4-(2-chlorophenyl)pent-3-en-1-amine is C/C(=C\CCN)c1ccccc1Cl.
What is the InChIKey of (E)-4-(2-chlorophenyl)pent-3-en-1-amine?
The InChIKey is OTAGYYJPXUUICE-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H14ClN/c1-9(5-4-8-13)10-6-2-3-7-11(10)12/h2-3,5-7H,4,8,13H2,1H3/b9-5+.
What are the key properties of (E)-4-(2-chlorophenyl)pent-3-en-1-amine?
(E)-4-(2-chlorophenyl)pent-3-en-1-amine has a molecular weight of 195.69 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-chlorophenyl)pent-3-en-1-amine is sourced from PubChem (CID 82076101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).