(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine

C13H19F2NOS — CID 134395722

IUPAC(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine
SMILESCO[C@H](c1ccc(SCCCF)cc1)[C@H](N)CF
InChIInChI=1S/C13H19F2NOS/c1-17-13(12(16)9-15)10-3-5-11(6-4-10)18-8-2-7-14/h3-6,12-13H,2,7-9,16H2,1H3/t12-,13-/m1/s1
InChIKeyZZLFCSNQLJRRHE-CHWSQXEVSA-N
MW275.36 g/mol
LogP3.12
Rot. Bonds8

About (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine

(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine (PubChem CID 134395722) has the molecular formula C13H19F2NOS and a molecular weight of 275.36 g/mol. Its IUPAC name is (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine
PubChem CID134395722
Molecular FormulaC13H19F2NOS
Molecular Weight275.36 g/mol
Exact Mass275.12
IUPAC Name(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine
SMILESCO[C@H](c1ccc(SCCCF)cc1)[C@H](N)CF
InChIInChI=1S/C13H19F2NOS/c1-17-13(12(16)9-15)10-3-5-11(6-4-10)18-8-2-7-14/h3-6,12-13H,2,7-9,16H2,1H3/t12-,13-/m1/s1
InChIKeyZZLFCSNQLJRRHE-CHWSQXEVSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-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

4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]aniline
CID 134395559
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol
CID 145467283
4-(3-fluoropropylsulfanyl)aniline
CID 81106862
N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine
CID 145467624
5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine
CID 75104520
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide
CID 134395435
3-fluoro-1-[4-(3-fluoroazetidin-1-yl)phenyl]-1-methoxypropan-2-amine
CID 145467339
N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
CID 90088134
3-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 145467661
3-fluoro-1-methoxy-1-(4-piperazin-1-ylphenyl)propan-2-amine
CID 142457120
[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 145468052
3-fluoro-1-methoxy-1-[4-(1-oxothiolan-3-yl)phenyl]propan-2-amine
CID 142457154

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine?
The IUPAC name of (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine (CID 134395722) is (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine?
The canonical SMILES for (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine is CO[C@H](c1ccc(SCCCF)cc1)[C@H](N)CF.
What is the InChIKey of (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine?
The InChIKey is ZZLFCSNQLJRRHE-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19F2NOS/c1-17-13(12(16)9-15)10-3-5-11(6-4-10)18-8-2-7-14/h3-6,12-13H,2,7-9,16H2,1H3/t12-,13-/m1/s1.
What are the key properties of (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine?
(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine has a molecular weight of 275.36 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 134395722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).