2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine

C14H21NO — CID 83822203

IUPAC2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
SMILESCCc1ccccc1C1(CCN)CCOC1
InChIInChI=1S/C14H21NO/c1-2-12-5-3-4-6-13(12)14(7-9-15)8-10-16-11-14/h3-6H,2,7-11,15H2,1H3
InChIKeyAPYRYYPIXJVXLX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds4

About 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine

2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine (PubChem CID 83822203) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
PubChem CID83822203
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
SMILESCCc1ccccc1C1(CCN)CCOC1
InChIInChI=1S/C14H21NO/c1-2-12-5-3-4-6-13(12)14(7-9-15)8-10-16-11-14/h3-6H,2,7-11,15H2,1H3
InChIKeyAPYRYYPIXJVXLX-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-ethylphenyl)oxan-4-yl]methanamine
CID 83822192
2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
CID 83820638
[3-(2-ethylphenyl)oxan-3-yl]methanamine
CID 83822197
2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
CID 83822618
2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine
CID 83824748
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
CID 82084431
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
1-[1-(2-ethylphenyl)cyclopropyl]-N-methylmethanamine
CID 105425246
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
3-(2-ethylphenyl)-3-methyldioxirane
CID 140599569

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine (CID 83822203) is 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine is CCc1ccccc1C1(CCN)CCOC1.
What is the InChIKey of 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine?
The InChIKey is APYRYYPIXJVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-12-5-3-4-6-13(12)14(7-9-15)8-10-16-11-14/h3-6H,2,7-11,15H2,1H3.
What are the key properties of 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine?
2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine is sourced from PubChem (CID 83822203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).