2-(3-ethoxyphenyl)-2-(propylamino)ethanol

C13H21NO2 — CID 61056607

IUPAC2-(3-ethoxyphenyl)-2-(propylamino)ethanol
SMILESCCCNC(CO)c1cccc(OCC)c1
InChIInChI=1S/C13H21NO2/c1-3-8-14-13(10-15)11-6-5-7-12(9-11)16-4-2/h5-7,9,13-15H,3-4,8,10H2,1-2H3
InChIKeyQEFCMNUXNHCMPR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds7

About 2-(3-ethoxyphenyl)-2-(propylamino)ethanol

2-(3-ethoxyphenyl)-2-(propylamino)ethanol (PubChem CID 61056607) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2-(propylamino)ethanol
PubChem CID61056607
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(3-ethoxyphenyl)-2-(propylamino)ethanol
SMILESCCCNC(CO)c1cccc(OCC)c1
InChIInChI=1S/C13H21NO2/c1-3-8-14-13(10-15)11-6-5-7-12(9-11)16-4-2/h5-7,9,13-15H,3-4,8,10H2,1-2H3
InChIKeyQEFCMNUXNHCMPR-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182
1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105173198
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63947558
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
CID 62224047

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2-(propylamino)ethanol?
The IUPAC name of 2-(3-ethoxyphenyl)-2-(propylamino)ethanol (CID 61056607) is 2-(3-ethoxyphenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2-(propylamino)ethanol?
The canonical SMILES for 2-(3-ethoxyphenyl)-2-(propylamino)ethanol is CCCNC(CO)c1cccc(OCC)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2-(propylamino)ethanol?
The InChIKey is QEFCMNUXNHCMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-8-14-13(10-15)11-6-5-7-12(9-11)16-4-2/h5-7,9,13-15H,3-4,8,10H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-2-(propylamino)ethanol?
2-(3-ethoxyphenyl)-2-(propylamino)ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 61056607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).