1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine

C14H20FNS — CID 66054051

IUPAC1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
SMILESC=CCCCC(CSc1ccccc1F)NC
InChIInChI=1S/C14H20FNS/c1-3-4-5-8-12(16-2)11-17-14-10-7-6-9-13(14)15/h3,6-7,9-10,12,16H,1,4-5,8,11H2,2H3
InChIKeyPRCLMXIDEVCIDH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.86
Rot. Bonds8

About 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine

1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine (PubChem CID 66054051) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
PubChem CID66054051
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
SMILESC=CCCCC(CSc1ccccc1F)NC
InChIInChI=1S/C14H20FNS/c1-3-4-5-8-12(16-2)11-17-14-10-7-6-9-13(14)15/h3,6-7,9-10,12,16H,1,4-5,8,11H2,2H3
InChIKeyPRCLMXIDEVCIDH-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
CID 66098431
1-(2-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66052111
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-yn-2-amine
CID 113374333
1-(4-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009286
1-(2-fluorophenyl)sulfanyl-N-methylbut-3-en-2-amine
CID 66053663
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
CID 66051551
N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
CID 83161475
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
1-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 64621833
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66053086

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine (CID 66054051) is 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine is C=CCCCC(CSc1ccccc1F)NC.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine?
The InChIKey is PRCLMXIDEVCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-3-4-5-8-12(16-2)11-17-14-10-7-6-9-13(14)15/h3,6-7,9-10,12,16H,1,4-5,8,11H2,2H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine?
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine is sourced from PubChem (CID 66054051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).