N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine

C15H22FNS — CID 66070643

IUPACN-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
SMILESC=CCCCC(CSc1cccc(F)c1)NCC
InChIInChI=1S/C15H22FNS/c1-3-5-6-9-14(17-4-2)12-18-15-10-7-8-13(16)11-15/h3,7-8,10-11,14,17H,1,4-6,9,12H2,2H3
InChIKeySVFORHWLVUHWMV-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.25
Rot. Bonds9

About N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine

N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine (PubChem CID 66070643) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
PubChem CID66070643
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
SMILESC=CCCCC(CSc1cccc(F)c1)NCC
InChIInChI=1S/C15H22FNS/c1-3-5-6-9-14(17-4-2)12-18-15-10-7-8-13(16)11-15/h3,7-8,10-11,14,17H,1,4-6,9,12H2,2H3
InChIKeySVFORHWLVUHWMV-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.25
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-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
1-(3-bromophenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66159440
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine (CID 66070643) is N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine is C=CCCCC(CSc1cccc(F)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine?
The InChIKey is SVFORHWLVUHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-3-5-6-9-14(17-4-2)12-18-15-10-7-8-13(16)11-15/h3,7-8,10-11,14,17H,1,4-6,9,12H2,2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine?
N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine has a molecular weight of 267.41 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine is sourced from PubChem (CID 66070643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).