1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine

C17H28FNOS — CID 103035763

IUPAC1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CSc1cccc(F)c1
InChIInChI=1S/C17H28FNOS/c1-5-11-19-15(9-10-17(2,3)20-4)13-21-16-8-6-7-14(18)12-16/h6-8,12,15,19H,5,9-11,13H2,1-4H3
InChIKeySILXBNOAAHTUKB-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.49
Rot. Bonds10

About 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine

1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine (PubChem CID 103035763) has the molecular formula C17H28FNOS and a molecular weight of 313.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
PubChem CID103035763
Molecular FormulaC17H28FNOS
Molecular Weight313.48 g/mol
Exact Mass313.19
IUPAC Name1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CSc1cccc(F)c1
InChIInChI=1S/C17H28FNOS/c1-5-11-19-15(9-10-17(2,3)20-4)13-21-16-8-6-7-14(18)12-16/h6-8,12,15,19H,5,9-11,13H2,1-4H3
InChIKeySILXBNOAAHTUKB-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035770
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 66072695
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071861
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
1-(3-chlorophenyl)sulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115517124
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine (CID 103035763) is 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)CSc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The InChIKey is SILXBNOAAHTUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNOS/c1-5-11-19-15(9-10-17(2,3)20-4)13-21-16-8-6-7-14(18)12-16/h6-8,12,15,19H,5,9-11,13H2,1-4H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine has a molecular weight of 313.48 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 103035763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).