N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine

C16H25NOS — CID 79962439

IUPACN-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)cc1C)C1CSCCO1
InChIInChI=1S/C16H25NOS/c1-5-17-16(15-10-19-7-6-18-15)14-9-12(3)11(2)8-13(14)4/h8-9,15-17H,5-7,10H2,1-4H3
InChIKeyWCDHOOSMKNADTR-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.39
Rot. Bonds4

About N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine

N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 79962439) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID79962439
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)cc1C)C1CSCCO1
InChIInChI=1S/C16H25NOS/c1-5-17-16(15-10-19-7-6-18-15)14-9-12(3)11(2)8-13(14)4/h8-9,15-17H,5-7,10H2,1-4H3
InChIKeyWCDHOOSMKNADTR-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 79963651
N-[(4-fluoro-2-methylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 79963662
N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine
CID 102651946
N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 107360001
N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79962860
N-[(4-cyclobutylphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 116506328
N-[1,4-oxathian-2-yl(quinolin-3-yl)methyl]ethanamine
CID 79963246
[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249716
N-[1,4-dioxan-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65352236
N-[(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 106881806
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(2-ethoxyphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 79968791

Frequently Asked Questions

What is the IUPAC name of N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine (CID 79962439) is N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)c(C)cc1C)C1CSCCO1.
What is the InChIKey of N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is WCDHOOSMKNADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-5-17-16(15-10-19-7-6-18-15)14-9-12(3)11(2)8-13(14)4/h8-9,15-17H,5-7,10H2,1-4H3.
What are the key properties of N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine?
N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 79962439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).