N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine

C15H22FNS — CID 66073336

IUPACN-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(CSc1cccc(F)c1)NCC
InChIInChI=1S/C15H22FNS/c1-4-12(3)9-14(17-5-2)11-18-15-8-6-7-13(16)10-15/h6-8,10,14,17H,3-5,9,11H2,1-2H3
InChIKeyFETOOUYFTNWVMW-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.25
Rot. Bonds8

About N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine

N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine (PubChem CID 66073336) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
PubChem CID66073336
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(CSc1cccc(F)c1)NCC
InChIInChI=1S/C15H22FNS/c1-4-12(3)9-14(17-5-2)11-18-15-8-6-7-13(16)10-15/h6-8,10,14,17H,3-5,9,11H2,1-2H3
InChIKeyFETOOUYFTNWVMW-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine
CID 66147897
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178412
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066398
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
N-ethyl-1-(3-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66070643
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine (CID 66073336) is N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine is C=C(CC)CC(CSc1cccc(F)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine?
The InChIKey is FETOOUYFTNWVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-4-12(3)9-14(17-5-2)11-18-15-8-6-7-13(16)10-15/h6-8,10,14,17H,3-5,9,11H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine?
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine has a molecular weight of 267.41 g/mol, XLogP of 4.25, 8 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)sulfanyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 66073336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).