ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine

C15H26FNS — CID 142320546

IUPACethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine
SMILESCC.Cc1cc(F)c(C(C)C)cc1SNC(C)C
InChIInChI=1S/C13H20FNS.C2H6/c1-8(2)11-7-13(16-15-9(3)4)10(5)6-12(11)14;1-2/h6-9,15H,1-5H3;1-2H3
InChIKeyKOLCPRGXEFAQMJ-UHFFFAOYSA-N
MW271.44 g/mol
LogP5.29
Rot. Bonds4

About ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine

ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine (PubChem CID 142320546) has the molecular formula C15H26FNS and a molecular weight of 271.44 g/mol. Its IUPAC name is ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Nameethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine
PubChem CID142320546
Molecular FormulaC15H26FNS
Molecular Weight271.44 g/mol
Exact Mass271.18
IUPAC Nameethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine
SMILESCC.Cc1cc(F)c(C(C)C)cc1SNC(C)C
InChIInChI=1S/C13H20FNS.C2H6/c1-8(2)11-7-13(16-15-9(3)4)10(5)6-12(11)14;1-2/h6-9,15H,1-5H3;1-2H3
InChIKeyKOLCPRGXEFAQMJ-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
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CID 176665151
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
2,2,3,3,6-pentafluoro-7-propan-2-yl-1,4-benzodioxine
CID 59333230
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117297836
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798
2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 117316900
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607
1-chloro-2,5-difluoro-4-methylbenzene;1-chloro-2,3-difluoro-4-propan-2-ylbenzene;ethane
CID 166123385

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine?
The IUPAC name of ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine (CID 142320546) is ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine is CC.Cc1cc(F)c(C(C)C)cc1SNC(C)C.
What is the InChIKey of ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine?
The InChIKey is KOLCPRGXEFAQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS.C2H6/c1-8(2)11-7-13(16-15-9(3)4)10(5)6-12(11)14;1-2/h6-9,15H,1-5H3;1-2H3.
What are the key properties of ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine?
ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine has a molecular weight of 271.44 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 142320546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).