N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine

C15H23NOS — CID 107750520

IUPACN-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
SMILESCCNC(C)c1ccc(SC2CCOC2C)cc1
InChIInChI=1S/C15H23NOS/c1-4-16-11(2)13-5-7-14(8-6-13)18-15-9-10-17-12(15)3/h5-8,11-12,15-16H,4,9-10H2,1-3H3
InChIKeyGIPJXFHDOWYFJS-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds5

About N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine

N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine (PubChem CID 107750520) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
PubChem CID107750520
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
SMILESCCNC(C)c1ccc(SC2CCOC2C)cc1
InChIInChI=1S/C15H23NOS/c1-4-16-11(2)13-5-7-14(8-6-13)18-15-9-10-17-12(15)3/h5-8,11-12,15-16H,4,9-10H2,1-3H3
InChIKeyGIPJXFHDOWYFJS-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55140918
N-[1-[3-bromo-4-(2-methyloxolan-3-yl)sulfanylphenyl]ethyl]propan-1-amine
CID 107750535
1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine
CID 107762287
N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 107762569
N-ethyl-3-methyl-2-(2-methyloxolan-3-yl)sulfanyl-1-phenylbutan-1-amine
CID 107762768
(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine
CID 107750568
2-methyl-N-[[2-methyl-4-(2-methyloxolan-3-yl)sulfanylphenyl]methyl]propan-1-amine
CID 107761312
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940
[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
CID 107751932
1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762815
(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750521

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine (CID 107750520) is N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine is CCNC(C)c1ccc(SC2CCOC2C)cc1.
What is the InChIKey of N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine?
The InChIKey is GIPJXFHDOWYFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-16-11(2)13-5-7-14(8-6-13)18-15-9-10-17-12(15)3/h5-8,11-12,15-16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine?
N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 107750520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).