(Z)-4-(3-chlorophenyl)but-3-en-1-amine

C10H12ClN — CID 58679830

IUPAC(Z)-4-(3-chlorophenyl)but-3-en-1-amine
SMILESNCC/C=C\c1cccc(Cl)c1
InChIInChI=1S/C10H12ClN/c11-10-6-3-5-9(8-10)4-1-2-7-12/h1,3-6,8H,2,7,12H2/b4-1-
InChIKeyLAEGRGVBZQLWJI-RJRFIUFISA-N
MW181.67 g/mol
LogP2.70
Rot. Bonds3

About (Z)-4-(3-chlorophenyl)but-3-en-1-amine

(Z)-4-(3-chlorophenyl)but-3-en-1-amine (PubChem CID 58679830) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (Z)-4-(3-chlorophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(3-chlorophenyl)but-3-en-1-amine
PubChem CID58679830
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(Z)-4-(3-chlorophenyl)but-3-en-1-amine
SMILESNCC/C=C\c1cccc(Cl)c1
InChIInChI=1S/C10H12ClN/c11-10-6-3-5-9(8-10)4-1-2-7-12/h1,3-6,8H,2,7,12H2/b4-1-
InChIKeyLAEGRGVBZQLWJI-RJRFIUFISA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-chlorophenyl)but-3-en-1-amine?
The IUPAC name of (Z)-4-(3-chlorophenyl)but-3-en-1-amine (CID 58679830) is (Z)-4-(3-chlorophenyl)but-3-en-1-amine.
What is the SMILES notation for (Z)-4-(3-chlorophenyl)but-3-en-1-amine?
The canonical SMILES for (Z)-4-(3-chlorophenyl)but-3-en-1-amine is NCC/C=C\c1cccc(Cl)c1.
What is the InChIKey of (Z)-4-(3-chlorophenyl)but-3-en-1-amine?
The InChIKey is LAEGRGVBZQLWJI-RJRFIUFISA-N. The full InChI is InChI=1S/C10H12ClN/c11-10-6-3-5-9(8-10)4-1-2-7-12/h1,3-6,8H,2,7,12H2/b4-1-.
What are the key properties of (Z)-4-(3-chlorophenyl)but-3-en-1-amine?
(Z)-4-(3-chlorophenyl)but-3-en-1-amine has a molecular weight of 181.67 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-chlorophenyl)but-3-en-1-amine is sourced from PubChem (CID 58679830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).