2-(2-ethoxyethylamino)-3-phenylpropan-1-ol

C13H21NO2 — CID 63261508

IUPAC2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
SMILESCCOCCNC(CO)Cc1ccccc1
InChIInChI=1S/C13H21NO2/c1-2-16-9-8-14-13(11-15)10-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyGJIBBVDFHKUPJI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.22
Rot. Bonds8

About 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol

2-(2-ethoxyethylamino)-3-phenylpropan-1-ol (PubChem CID 63261508) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
PubChem CID63261508
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
SMILESCCOCCNC(CO)Cc1ccccc1
InChIInChI=1S/C13H21NO2/c1-2-16-9-8-14-13(11-15)10-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyGJIBBVDFHKUPJI-UHFFFAOYSA-N
XLogP1.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
methyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanoate
CID 55169386
methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate
CID 82351193
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
2-(2-ethoxyethylamino)-4-methylpentan-1-ol
CID 61246725
2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol
CID 55168818
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
2-(1-phenylbutan-2-ylamino)ethyl carbamate
CID 83212188

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol (CID 63261508) is 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol is CCOCCNC(CO)Cc1ccccc1.
What is the InChIKey of 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol?
The InChIKey is GJIBBVDFHKUPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-16-9-8-14-13(11-15)10-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3.
What are the key properties of 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol?
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 63261508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).