2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine

C16H25NO2 — CID 65352785

IUPAC2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)C1COCCO1
InChIInChI=1S/C16H25NO2/c1-4-17-15(16-11-18-5-6-19-16)10-14-8-12(2)7-13(3)9-14/h7-9,15-17H,4-6,10-11H2,1-3H3
InChIKeyJHRGYSDBJDKOJM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.24
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine

2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine (PubChem CID 65352785) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
PubChem CID65352785
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)C1COCCO1
InChIInChI=1S/C16H25NO2/c1-4-17-15(16-11-18-5-6-19-16)10-14-8-12(2)7-13(3)9-14/h7-9,15-17H,4-6,10-11H2,1-3H3
InChIKeyJHRGYSDBJDKOJM-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
2-(3-bromo-4-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 65352587
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65352738
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 62804886
2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 114287335
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369
N-[2-(4-chloro-3-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 107891917
N-[1-(1,4-dioxan-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 65352285
1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050021
1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 65352588
2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 63563049
N-[(2,4-difluoro-5-methylphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 79725090

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine (CID 65352785) is 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine is CCNC(Cc1cc(C)cc(C)c1)C1COCCO1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The InChIKey is JHRGYSDBJDKOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-15(16-11-18-5-6-19-16)10-14-8-12(2)7-13(3)9-14/h7-9,15-17H,4-6,10-11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine is sourced from PubChem (CID 65352785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).