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

(2R,3R,4S)-2-((((1R)-2-hydroxy-1-phenylethyl)amino)methyl)pyrrolidine-3,4-diol
CID 11425273
(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
4-Phenyloxazolidin-2-one
CID 349728
3-(4-Fluorophenyl)morpholine
CID 3831072
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
3-Phenylmorpholine
CID 3613837
2-Methoxy-1-phenylethan-1-amine
CID 11105539
beta-(Methylamino)benzeneethanol
CID 12247455
3-Phenylmorpholine--hydrogen chloride (1/1)
CID 17749820
(2R,3R,4S)-2-((((1S)-2-hydroxy-1-phenylethyl)amino)methyl)pyrrolidine-3,4-diol
CID 11414083

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).