(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine

C15H16ClNO — CID 51889884

IUPAC(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine
SMILESN[C@@H](CCOc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(17)10-11-18-14-4-2-1-3-5-14/h1-9,15H,10-11,17H2/t15-/m0/s1
InChIKeyHYDLQNLHUATIDN-HNNXBMFYSA-N
MW261.75 g/mol
LogP3.81
Rot. Bonds5

About (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine

(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine (PubChem CID 51889884) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine
PubChem CID51889884
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine
SMILESN[C@@H](CCOc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(17)10-11-18-14-4-2-1-3-5-14/h1-9,15H,10-11,17H2/t15-/m0/s1
InChIKeyHYDLQNLHUATIDN-HNNXBMFYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-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-[bis(2-phenoxyethoxy)methyl]-4-chlorobenzene
CID 71345800
4-phenoxy-1-pyridin-4-ylbutan-1-amine
CID 114991659
1-(2,4-dichlorophenyl)-4-phenoxybutan-1-amine
CID 84752996
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54001811
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
3-(3-methoxyphenoxy)-1-phenylpropan-1-amine;hydrochloride
CID 70582417
(2S)-4-phenoxybutane-1,2-diamine
CID 131851229
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
3-(4-nitrophenoxy)-1-phenylpropan-1-amine
CID 173162895
(2S)-2-(4-chlorophenoxy)-4-phenoxybutanoic acid
CID 73347301

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine (CID 51889884) is (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine is N[C@@H](CCOc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine?
The InChIKey is HYDLQNLHUATIDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-13-8-6-12(7-9-13)15(17)10-11-18-14-4-2-1-3-5-14/h1-9,15H,10-11,17H2/t15-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine?
(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine has a molecular weight of 261.75 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 51889884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).