2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine

C16H25NO — CID 65328912

IUPAC2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)C1CCCO1
InChIInChI=1S/C16H25NO/c1-4-17-15(16-6-5-7-18-16)11-14-9-12(2)8-13(3)10-14/h8-10,15-17H,4-7,11H2,1-3H3
InChIKeyMCSYWKNVWQDIGI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.00
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine

2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine (PubChem CID 65328912) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
PubChem CID65328912
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)C1CCCO1
InChIInChI=1S/C16H25NO/c1-4-17-15(16-6-5-7-18-16)11-14-9-12(2)8-13(3)10-14/h8-10,15-17H,4-7,11H2,1-3H3
InChIKeyMCSYWKNVWQDIGI-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 65352785
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328636
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine (CID 65328912) is 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine is CCNC(Cc1cc(C)cc(C)c1)C1CCCO1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
The InChIKey is MCSYWKNVWQDIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17-15(16-6-5-7-18-16)11-14-9-12(2)8-13(3)10-14/h8-10,15-17H,4-7,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine?
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65328912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).