N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine

C17H28FNS — CID 66051552

IUPACN-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
SMILESCCCCCCCC(CSc1ccccc1F)NCC
InChIInChI=1S/C17H28FNS/c1-3-5-6-7-8-11-15(19-4-2)14-20-17-13-10-9-12-16(17)18/h9-10,12-13,15,19H,3-8,11,14H2,1-2H3
InChIKeyYRFXDLNMSUCIAB-UHFFFAOYSA-N
MW297.48 g/mol
LogP5.26
Rot. Bonds11

About N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine

N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine (PubChem CID 66051552) has the molecular formula C17H28FNS and a molecular weight of 297.48 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
PubChem CID66051552
Molecular FormulaC17H28FNS
Molecular Weight297.48 g/mol
Exact Mass297.19
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
SMILESCCCCCCCC(CSc1ccccc1F)NCC
InChIInChI=1S/C17H28FNS/c1-3-5-6-7-8-11-15(19-4-2)14-20-17-13-10-9-12-16(17)18/h9-10,12-13,15,19H,3-8,11,14H2,1-2H3
InChIKeyYRFXDLNMSUCIAB-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.48
LogP ≤ 55.26
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-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
CID 83161475
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66140367
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
CID 66051551
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575022
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine
CID 60688009
1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66158840
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine
CID 106808222
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine (CID 66051552) is N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine is CCCCCCCC(CSc1ccccc1F)NCC.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine?
The InChIKey is YRFXDLNMSUCIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNS/c1-3-5-6-7-8-11-15(19-4-2)14-20-17-13-10-9-12-16(17)18/h9-10,12-13,15,19H,3-8,11,14H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine?
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine has a molecular weight of 297.48 g/mol, XLogP of 5.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine is sourced from PubChem (CID 66051552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).