1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine

C14H20FNOS — CID 66072514

IUPAC1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
SMILESNC(CSc1cccc(F)c1)CC1CCOCC1
InChIInChI=1S/C14H20FNOS/c15-12-2-1-3-14(9-12)18-10-13(16)8-11-4-6-17-7-5-11/h1-3,9,11,13H,4-8,10,16H2
InChIKeyCPNQMUSHAHCMSQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds5

About 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine

1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine (PubChem CID 66072514) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
PubChem CID66072514
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
SMILESNC(CSc1cccc(F)c1)CC1CCOCC1
InChIInChI=1S/C14H20FNOS/c15-12-2-1-3-14(9-12)18-10-13(16)8-11-4-6-17-7-5-11/h1-3,9,11,13H,4-8,10,16H2
InChIKeyCPNQMUSHAHCMSQ-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Fluoro-3-[4-(oxan-4-ylmethylsulfanyl)phenyl]propan-2-amine
CID 129313548
(4-Fluoro-6-phenylsulfanyloxan-2-yl)methanamine
CID 137531288
1-[3-Fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55140723
1-(2-Fluorophenyl)-1-(oxan-4-ylsulfanyl)propan-2-amine
CID 55142267
1-(3-Fluorophenyl)-1-(oxan-4-ylsulfanyl)butan-2-amine
CID 55142457
(1R)-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55183002
(1R)-1-[2-fluoro-6-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55183182
1-[3-Fluoro-4-(oxan-4-ylsulfanyl)phenyl]butan-2-amine
CID 55261168
1-[5-Fluoro-2-(oxan-4-ylsulfanyl)phenyl]propan-2-amine
CID 55261362
2-[3-Fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55261558
1-(4-Fluorophenyl)-1-(oxan-4-ylsulfanyl)propan-2-amine
CID 62994996
1-(3-Fluorophenyl)-1-(oxan-4-ylsulfanyl)propan-2-amine
CID 62995720

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine (CID 66072514) is 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine is NC(CSc1cccc(F)c1)CC1CCOCC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine?
The InChIKey is CPNQMUSHAHCMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c15-12-2-1-3-14(9-12)18-10-13(16)8-11-4-6-17-7-5-11/h1-3,9,11,13H,4-8,10,16H2.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine?
1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 66072514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).