(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine

C15H23NO2 — CID 125486090

IUPAC(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
SMILESCOCCN[C@H](Cc1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C15H23NO2/c1-17-11-9-16-14(15-8-5-10-18-15)12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3/t14-,15+/m1/s1
InChIKeySPMMAOBZCOERFP-CABCVRRESA-N
MW249.35 g/mol
LogP2.01
Rot. Bonds7

About (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine

(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine (PubChem CID 125486090) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
PubChem CID125486090
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
SMILESCOCCN[C@H](Cc1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C15H23NO2/c1-17-11-9-16-14(15-8-5-10-18-15)12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3/t14-,15+/m1/s1
InChIKeySPMMAOBZCOERFP-CABCVRRESA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
2-(2-methoxyethylamino)-2-(oxolan-2-yl)ethanol
CID 82837239
N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
CID 125485962
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
2-(2-methoxyethylamino)-2-(oxolan-2-yl)acetic acid
CID 82838234
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine?
The IUPAC name of (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine (CID 125486090) is (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine is COCCN[C@H](Cc1ccccc1)[C@@H]1CCCO1.
What is the InChIKey of (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine?
The InChIKey is SPMMAOBZCOERFP-CABCVRRESA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-11-9-16-14(15-8-5-10-18-15)12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine?
(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine is sourced from PubChem (CID 125486090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).