(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol

C16H17ClFNO — CID 118689233

IUPAC(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
SMILESCNCC(c1ccc(F)c(Cl)c1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H17ClFNO/c1-19-10-13(12-7-8-15(18)14(17)9-12)16(20)11-5-3-2-4-6-11/h2-9,13,16,19-20H,10H2,1H3/t13?,16-/m1/s1
InChIKeyVQTDVJQKOKTVJM-FQNRMIAFSA-N
MW293.77 g/mol
LogP3.52
Rot. Bonds5

About (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol

(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol (PubChem CID 118689233) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
PubChem CID118689233
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
SMILESCNCC(c1ccc(F)c(Cl)c1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H17ClFNO/c1-19-10-13(12-7-8-15(18)14(17)9-12)16(20)11-5-3-2-4-6-11/h2-9,13,16,19-20H,10H2,1H3/t13?,16-/m1/s1
InChIKeyVQTDVJQKOKTVJM-FQNRMIAFSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol 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

rel-(alphaR)-3-Chloro-alpha-((1R)-1-((1,1-dimethylethyl)amino)ethyl)benzenemethanol
CID 9834682
2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 445
(1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 9943534
1-(3-Chlorophenyl)-2-(isopropylamino)ethanol
CID 19913640
Erythrohydrobupropion
CID 9813542
(R*,S*)-2-(T-Butylamino)1-(3-chlorophenyl) propanol
CID 9899562
alpha-[(Butylamino)methyl]-4-chloro-alpha-(4-chlorophenyl)benzenemethanol
CID 3257554
1-[2-(3-Chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-ol
CID 46890906
N-[3-(4-Methylphenyl)-1-methylpropyl]-2-hydroxy-2-(3-chlorophenyl)ethanamine
CID 23322179
Setazindol
CID 193099
(1R)-1-(3-chlorophenyl)-2-[1-(4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
CID 44522710
1-(3-Chlorophenyl)-2-[1-[4-[6-(methylamino)hexyl]phenyl]propan-2-ylamino]ethanol;hydrochloride
CID 44522740

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol (CID 118689233) is (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol is CNCC(c1ccc(F)c(Cl)c1)[C@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is VQTDVJQKOKTVJM-FQNRMIAFSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-19-10-13(12-7-8-15(18)14(17)9-12)16(20)11-5-3-2-4-6-11/h2-9,13,16,19-20H,10H2,1H3/t13?,16-/m1/s1.
What are the key properties of (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol?
(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 293.77 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 118689233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).