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

C18H29NO — CID 65156203

IUPAC1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1cc(CC)ccc1CC
InChIInChI=1S/C18H29NO/c1-4-14-9-10-15(5-2)17(12-14)18(19-6-3)13-16-8-7-11-20-16/h9-10,12,16,18-19H,4-8,11,13H2,1-3H3
InChIKeySUWOTRWQDSMMEY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.03
Rot. Bonds7

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

1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine (PubChem CID 65156203) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
PubChem CID65156203
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1cc(CC)ccc1CC
InChIInChI=1S/C18H29NO/c1-4-14-9-10-15(5-2)17(12-14)18(19-6-3)13-16-8-7-11-20-16/h9-10,12,16,18-19H,4-8,11,13H2,1-3H3
InChIKeySUWOTRWQDSMMEY-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
N-ethyl-1-(5-ethylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156100
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
1-(2-chloro-4,5-difluorophenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 107476423
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833759
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550488
1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82100237
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
CID 104659878
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine (CID 65156203) is 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)c1cc(CC)ccc1CC.
What is the InChIKey of 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is SUWOTRWQDSMMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14-9-10-15(5-2)17(12-14)18(19-6-3)13-16-8-7-11-20-16/h9-10,12,16,18-19H,4-8,11,13H2,1-3H3.
What are the key properties of 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).