6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine

C15H24FNS — CID 106808222

IUPAC6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCSc1ccccc1F
InChIInChI=1S/C15H24FNS/c1-3-11-17-13(4-2)8-7-12-18-15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3
InChIKeyXKQUGERYLWFHKN-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.48
Rot. Bonds9

About 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine

6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine (PubChem CID 106808222) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine
PubChem CID106808222
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCSc1ccccc1F
InChIInChI=1S/C15H24FNS/c1-3-11-17-13(4-2)8-7-12-18-15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3
InChIKeyXKQUGERYLWFHKN-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine
CID 106808177
N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine
CID 60688009
1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64619887
6-(2-bromophenyl)sulfanyl-N-ethylhexan-3-amine
CID 106808158
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylhexan-3-amine
CID 106808446
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552
1-(2-butoxyethylsulfanyl)-2-fluorobenzene
CID 78903276
6-(2,5-dimethylphenyl)sulfanyl-N-ethylhexan-3-amine
CID 106808303
N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66051528
1-(2-butylsulfanylphenyl)-N-propylpropan-1-amine
CID 112678605
N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
CID 83161475
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine (CID 106808222) is 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine is CCCNC(CC)CCCSc1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine?
The InChIKey is XKQUGERYLWFHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-3-11-17-13(4-2)8-7-12-18-15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine?
6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine has a molecular weight of 269.43 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine is sourced from PubChem (CID 106808222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).