2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine

C13H18FNOS — CID 105374163

IUPAC2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CSCCO1
InChIInChI=1S/C13H18FNOS/c1-9-2-3-11(14)6-10(9)7-12(15)13-8-17-5-4-16-13/h2-3,6,12-13H,4-5,7-8,15H2,1H3
InChIKeyDHQJLSVLNSWHCC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.14
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine

2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 105374163) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID105374163
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CSCCO1
InChIInChI=1S/C13H18FNOS/c1-9-2-3-11(14)6-10(9)7-12(15)13-8-17-5-4-16-13/h2-3,6,12-13H,4-5,7-8,15H2,1H3
InChIKeyDHQJLSVLNSWHCC-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 105373529
2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963416
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
2-(3-bromo-4-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963811
N-[(4-fluoro-2-methylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 79963662
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
CID 104932260
2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114242009
1-(1,4-oxathian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79962815

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine (CID 105374163) is 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine is Cc1ccc(F)cc1CC(N)C1CSCCO1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is DHQJLSVLNSWHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-9-2-3-11(14)6-10(9)7-12(15)13-8-17-5-4-16-13/h2-3,6,12-13H,4-5,7-8,15H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine?
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 105374163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).