N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine

C16H25NOS — CID 64626571

IUPACN-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCCNC(CSC1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C16H25NOS/c1-3-17-16(14-6-4-13(2)5-7-14)12-19-15-8-10-18-11-9-15/h4-7,15-17H,3,8-12H2,1-2H3
InChIKeySGXPTWCYVOROST-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.56
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine

N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine (PubChem CID 64626571) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
PubChem CID64626571
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCCNC(CSC1CCOCC1)c1ccc(C)cc1
InChIInChI=1S/C16H25NOS/c1-3-17-16(14-6-4-13(2)5-7-14)12-19-15-8-10-18-11-9-15/h4-7,15-17H,3,8-12H2,1-2H3
InChIKeySGXPTWCYVOROST-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627355
N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79332413
N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332301
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfonyl)ethanamine
CID 64675879
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586
1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332878
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine (CID 64626571) is N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine is CCNC(CSC1CCOCC1)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The InChIKey is SGXPTWCYVOROST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-17-16(14-6-4-13(2)5-7-14)12-19-15-8-10-18-11-9-15/h4-7,15-17H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine?
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine is sourced from PubChem (CID 64626571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).