3-(2-chlorophenyl)propan-1-amine

C9H12ClN — CID 5200411

IUPAC3-(2-chlorophenyl)propan-1-amine
SMILESNCCCc1ccccc1Cl
InChIInChI=1S/C9H12ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5,7,11H2
InChIKeyIBVNNEPIXJSRAS-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.23
Rot. Bonds3

About 3-(2-chlorophenyl)propan-1-amine

3-(2-chlorophenyl)propan-1-amine (PubChem CID 5200411) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 3-(2-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)propan-1-amine
PubChem CID5200411
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name3-(2-chlorophenyl)propan-1-amine
SMILESNCCCc1ccccc1Cl
InChIInChI=1S/C9H12ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5,7,11H2
InChIKeyIBVNNEPIXJSRAS-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)propan-1-amine (CID 5200411) is 3-(2-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)propan-1-amine is NCCCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)propan-1-amine?
The InChIKey is IBVNNEPIXJSRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5,7,11H2.
What are the key properties of 3-(2-chlorophenyl)propan-1-amine?
3-(2-chlorophenyl)propan-1-amine has a molecular weight of 169.66 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)propan-1-amine is sourced from PubChem (CID 5200411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).