1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine

C16H26FNS — CID 66066503

IUPAC1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
SMILESCCCCCC(CSc1ccc(F)cc1)NCCC
InChIInChI=1S/C16H26FNS/c1-3-5-6-7-15(18-12-4-2)13-19-16-10-8-14(17)9-11-16/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeyOBUGEDQOBMQOHX-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.87
Rot. Bonds10

About 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine

1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine (PubChem CID 66066503) has the molecular formula C16H26FNS and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
PubChem CID66066503
Molecular FormulaC16H26FNS
Molecular Weight283.46 g/mol
Exact Mass283.18
IUPAC Name1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
SMILESCCCCCC(CSc1ccc(F)cc1)NCCC
InChIInChI=1S/C16H26FNS/c1-3-5-6-7-15(18-12-4-2)13-19-16-10-8-14(17)9-11-16/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeyOBUGEDQOBMQOHX-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.87
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

1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035770
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 83160735
1-(4-fluorophenyl)sulfanylheptan-2-ol
CID 66070965
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
CID 66146019
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine (CID 66066503) is 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine is CCCCCC(CSc1ccc(F)cc1)NCCC.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine?
The InChIKey is OBUGEDQOBMQOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNS/c1-3-5-6-7-15(18-12-4-2)13-19-16-10-8-14(17)9-11-16/h8-11,15,18H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine?
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine is sourced from PubChem (CID 66066503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).