1-(4-chlorophenoxy)propan-2-amine

C9H12ClNO — CID 6484653

IUPAC1-(4-chlorophenoxy)propan-2-amine
SMILESCC(N)COc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3
InChIKeyABUVVMITUVCSDX-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.07
Rot. Bonds3

About 1-(4-chlorophenoxy)propan-2-amine

1-(4-chlorophenoxy)propan-2-amine (PubChem CID 6484653) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)propan-2-amine
PubChem CID6484653
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-(4-chlorophenoxy)propan-2-amine
SMILESCC(N)COc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3
InChIKeyABUVVMITUVCSDX-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenoxy)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)propan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)propan-2-amine (CID 6484653) is 1-(4-chlorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)propan-2-amine is CC(N)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)propan-2-amine?
The InChIKey is ABUVVMITUVCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)propan-2-amine?
1-(4-chlorophenoxy)propan-2-amine has a molecular weight of 185.65 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)propan-2-amine is sourced from PubChem (CID 6484653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).