1-(4-chlorophenyl)propan-1-amine

C9H12ClN — CID 12622928

IUPAC1-(4-chlorophenyl)propan-1-amine
SMILESCCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2,11H2,1H3
InChIKeyJAVXFKQNRRUYMG-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.75
Rot. Bonds2

About 1-(4-chlorophenyl)propan-1-amine

1-(4-chlorophenyl)propan-1-amine (PubChem CID 12622928) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)propan-1-amine
PubChem CID12622928
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name1-(4-chlorophenyl)propan-1-amine
SMILESCCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2,11H2,1H3
InChIKeyJAVXFKQNRRUYMG-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)propan-1-amine (CID 12622928) is 1-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)propan-1-amine is CCC(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)propan-1-amine?
The InChIKey is JAVXFKQNRRUYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)propan-1-amine?
1-(4-chlorophenyl)propan-1-amine has a molecular weight of 169.66 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 12622928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).