N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine

C16H26FNOS — CID 103035762

IUPACN-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)CSc1ccccc1F
InChIInChI=1S/C16H26FNOS/c1-5-18-13(10-11-16(2,3)19-4)12-20-15-9-7-6-8-14(15)17/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyLHSDBLYLTHWGKB-UHFFFAOYSA-N
MW299.45 g/mol
LogP4.10
Rot. Bonds9

About N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine

N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103035762) has the molecular formula C16H26FNOS and a molecular weight of 299.45 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103035762
Molecular FormulaC16H26FNOS
Molecular Weight299.45 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)CSc1ccccc1F
InChIInChI=1S/C16H26FNOS/c1-5-18-13(10-11-16(2,3)19-4)12-20-15-9-7-6-8-14(15)17/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyLHSDBLYLTHWGKB-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine (CID 103035762) is N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)CSc1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is LHSDBLYLTHWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNOS/c1-5-18-13(10-11-16(2,3)19-4)12-20-15-9-7-6-8-14(15)17/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine?
N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 299.45 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103035762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).