2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine

C15H23NO2 — CID 102977996

IUPAC2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
SMILESCOCC(NCCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-17-12-15(13-6-3-2-4-7-13)16-10-9-14-8-5-11-18-14/h2-4,6-7,14-16H,5,8-12H2,1H3
InChIKeyQVDDMJGSGPQUKW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.53
Rot. Bonds7

About 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine

2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine (PubChem CID 102977996) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
PubChem CID102977996
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
SMILESCOCC(NCCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-17-12-15(13-6-3-2-4-7-13)16-10-9-14-8-5-11-18-14/h2-4,6-7,14-16H,5,8-12H2,1H3
InChIKeyQVDDMJGSGPQUKW-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
methyl 3-[2-(oxolan-2-yl)ethylamino]-2-phenylpropanoate
CID 64567904
2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 61039844
(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
CID 100894383
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-1-phenylethanamine
CID 103913578
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine?
The IUPAC name of 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine (CID 102977996) is 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine is COCC(NCCC1CCCO1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine?
The InChIKey is QVDDMJGSGPQUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-12-15(13-6-3-2-4-7-13)16-10-9-14-8-5-11-18-14/h2-4,6-7,14-16H,5,8-12H2,1H3.
What are the key properties of 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine?
2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 102977996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).