1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine

C17H26FNOS — CID 66066308

IUPAC1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCO1)CSc1ccc(F)cc1
InChIInChI=1S/C17H26FNOS/c1-2-11-19-15(7-8-16-4-3-12-20-16)13-21-17-9-5-14(18)6-10-17/h5-6,9-10,15-16,19H,2-4,7-8,11-13H2,1H3
InChIKeyAGFWZDZGFQKFBF-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.25
Rot. Bonds9

About 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine

1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine (PubChem CID 66066308) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
PubChem CID66066308
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCO1)CSc1ccc(F)cc1
InChIInChI=1S/C17H26FNOS/c1-2-11-19-15(7-8-16-4-3-12-20-16)13-21-17-9-5-14(18)6-10-17/h5-6,9-10,15-16,19H,2-4,7-8,11-13H2,1H3
InChIKeyAGFWZDZGFQKFBF-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-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

N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
CID 103035762
(1S)-2-[(4-fluorophenyl)-dimethyl-lambda4-sulfanyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010649
2-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 55024192
4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine
CID 55091971
2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 55092239
N-[2-(2,5-difluorophenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 55092294
N-[2-(2,5-difluorophenyl)sulfanylethyl]-4-ethoxybutan-1-amine
CID 55092345
2-(2,4-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092442
2-(2-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683800
N-[2-(2-fluorophenyl)sulfanylethyl]-3-propan-2-yloxypropan-1-amine
CID 60691368
N-[2-(4-fluorophenyl)sulfanylethyl]-3-propan-2-yloxypropan-1-amine
CID 60691369
N-[2-(3,4-difluorophenyl)sulfanylethyl]-4-ethoxybutan-1-amine
CID 62576156

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine (CID 66066308) is 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine is CCCNC(CCC1CCCO1)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
The InChIKey is AGFWZDZGFQKFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-2-11-19-15(7-8-16-4-3-12-20-16)13-21-17-9-5-14(18)6-10-17/h5-6,9-10,15-16,19H,2-4,7-8,11-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine?
1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine has a molecular weight of 311.47 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 66066308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).