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

C9H10ClN — CID 14893078

IUPAC2-(4-chlorophenyl)prop-2-en-1-amine
SMILESC=C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5H,1,6,11H2
InChIKeyZMPMUKGGDIUJEN-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.31
Rot. Bonds2

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

2-(4-chlorophenyl)prop-2-en-1-amine (PubChem CID 14893078) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)prop-2-en-1-amine
PubChem CID14893078
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-(4-chlorophenyl)prop-2-en-1-amine
SMILESC=C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5H,1,6,11H2
InChIKeyZMPMUKGGDIUJEN-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)prop-2-en-1-amine?
The IUPAC name of 2-(4-chlorophenyl)prop-2-en-1-amine (CID 14893078) is 2-(4-chlorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)prop-2-en-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)prop-2-en-1-amine is C=C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)prop-2-en-1-amine?
The InChIKey is ZMPMUKGGDIUJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5H,1,6,11H2.
What are the key properties of 2-(4-chlorophenyl)prop-2-en-1-amine?
2-(4-chlorophenyl)prop-2-en-1-amine has a molecular weight of 167.64 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 14893078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).