1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine

C14H22FNS — CID 66071041

IUPAC1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CSc1cccc(F)c1
InChIInChI=1S/C14H22FNS/c1-3-6-13(16-9-4-2)11-17-14-8-5-7-12(15)10-14/h5,7-8,10,13,16H,3-4,6,9,11H2,1-2H3
InChIKeyBZXGNSBTHTXNRX-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.09
Rot. Bonds8

About 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine

1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine (PubChem CID 66071041) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
PubChem CID66071041
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC Name1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CSc1cccc(F)c1
InChIInChI=1S/C14H22FNS/c1-3-6-13(16-9-4-2)11-17-14-8-5-7-12(15)10-14/h5,7-8,10,13,16H,3-4,6,9,11H2,1-2H3
InChIKeyBZXGNSBTHTXNRX-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
1-(3-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035763
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-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
CID 64648095
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071861
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424
1-(3-fluorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79177973
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine (CID 66071041) is 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine is CCCNC(CCC)CSc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine?
The InChIKey is BZXGNSBTHTXNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-3-6-13(16-9-4-2)11-17-14-8-5-7-12(15)10-14/h5,7-8,10,13,16H,3-4,6,9,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine?
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 66071041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).