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

C9H12ClN — CID 3127

IUPAC1-(4-chlorophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKeyWWPITPSIWMXDPE-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.23
Rot. Bonds2

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

1-(4-chlorophenyl)propan-2-amine (PubChem CID 3127) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)propan-2-amine
PubChem CID3127
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name1-(4-chlorophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKeyWWPITPSIWMXDPE-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)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

Related Compounds

1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 105454010
1-[4-(dichloromethyl)phenyl]propan-2-amine
CID 67566603
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine
CID 57249911

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)propan-2-amine (CID 3127) is 1-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)propan-2-amine is CC(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)propan-2-amine?
The InChIKey is WWPITPSIWMXDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)propan-2-amine?
1-(4-chlorophenyl)propan-2-amine has a molecular weight of 169.66 g/mol, XLogP of 2.23, 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-2-amine is sourced from PubChem (CID 3127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).