1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine

C16H25NO — CID 62550458

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO/c1-4-17-16(11-15-6-5-9-18-15)14-8-7-12(2)13(3)10-14/h7-8,10,15-17H,4-6,9,11H2,1-3H3
InChIKeyLJFBTMRENFAXIB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.52
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine

1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine (PubChem CID 62550458) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
PubChem CID62550458
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO/c1-4-17-16(11-15-6-5-9-18-15)14-8-7-12(2)13(3)10-14/h7-8,10,15-17H,4-6,9,11H2,1-3H3
InChIKeyLJFBTMRENFAXIB-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496920
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550488
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 65156028
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114519253
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
N-ethyl-1-(5-ethylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156100

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine (CID 62550458) is 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is LJFBTMRENFAXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17-16(11-15-6-5-9-18-15)14-8-7-12(2)13(3)10-14/h7-8,10,15-17H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62550458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).