N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine

C16H24FNS — CID 105142551

IUPACN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)c1cc(F)ccc1C
InChIInChI=1S/C16H24FNS/c1-3-18-16(10-13-6-8-19-9-7-13)15-11-14(17)5-4-12(15)2/h4-5,11,13,16,18H,3,6-10H2,1-2H3
InChIKeyPDFIAXDSZQKPKF-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.32
Rot. Bonds5

About N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine

N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine (PubChem CID 105142551) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine
PubChem CID105142551
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC NameN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)c1cc(F)ccc1C
InChIInChI=1S/C16H24FNS/c1-3-18-16(10-13-6-8-19-9-7-13)15-11-14(17)5-4-12(15)2/h4-5,11,13,16,18H,3,6-10H2,1-2H3
InChIKeyPDFIAXDSZQKPKF-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105140728
N-ethyl-2-(thian-4-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105146575
N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 105179151
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816
N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine
CID 105171035
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105176539
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine (CID 105142551) is N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine is CCNC(CC1CCSCC1)c1cc(F)ccc1C.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine?
The InChIKey is PDFIAXDSZQKPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-3-18-16(10-13-6-8-19-9-7-13)15-11-14(17)5-4-12(15)2/h4-5,11,13,16,18H,3,6-10H2,1-2H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine?
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105142551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).