2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol

C13H21NO2 — CID 63183006

IUPAC2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
SMILESCC(C)OCCNC(CO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-11(2)16-9-8-14-13(10-15)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeyMLSAENSBKMDGNR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds7

About 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol

2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol (PubChem CID 63183006) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol.

Molecular Properties

Compound Name2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
PubChem CID63183006
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
SMILESCC(C)OCCNC(CO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-11(2)16-9-8-14-13(10-15)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeyMLSAENSBKMDGNR-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
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

2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
1,2-diphenyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 78826333
1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
CID 110894791
(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
CID 24741569
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
(2R)-2-(but-3-enylamino)-2-phenylethanol
CID 14716014
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
2-(but-2-ynylamino)-2-phenylethanol
CID 63183049
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol?
The IUPAC name of 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol (CID 63183006) is 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol.
What is the SMILES notation for 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol?
The canonical SMILES for 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol is CC(C)OCCNC(CO)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol?
The InChIKey is MLSAENSBKMDGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)16-9-8-14-13(10-15)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3.
What are the key properties of 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol?
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol is sourced from PubChem (CID 63183006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).