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

C9H12ClN — CID 22246875

IUPAC3-(3-chlorophenyl)propan-1-amine
SMILESNCCCc1cccc(Cl)c1
InChIInChI=1S/C9H12ClN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4,6,11H2
InChIKeyDWCPCBZNAUDRIX-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.23
Rot. Bonds3

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

3-(3-chlorophenyl)propan-1-amine (PubChem CID 22246875) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 3-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)propan-1-amine
PubChem CID22246875
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name3-(3-chlorophenyl)propan-1-amine
SMILESNCCCc1cccc(Cl)c1
InChIInChI=1S/C9H12ClN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4,6,11H2
InChIKeyDWCPCBZNAUDRIX-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-(3-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)propan-1-amine (CID 22246875) is 3-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)propan-1-amine is NCCCc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)propan-1-amine?
The InChIKey is DWCPCBZNAUDRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4,6,11H2.
What are the key properties of 3-(3-chlorophenyl)propan-1-amine?
3-(3-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-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 22246875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).