2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol

C17H21NO3 — CID 81134404

IUPAC2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2cccc(C(C)N)c2)c1
InChIInChI=1S/C17H21NO3/c1-12(18)13-5-3-8-16(9-13)21-11-17(19)14-6-4-7-15(10-14)20-2/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyGEENMTZUEFKLOI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.83
Rot. Bonds6

About 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol

2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134404) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
PubChem CID81134404
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2cccc(C(C)N)c2)c1
InChIInChI=1S/C17H21NO3/c1-12(18)13-5-3-8-16(9-13)21-11-17(19)14-6-4-7-15(10-14)20-2/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyGEENMTZUEFKLOI-UHFFFAOYSA-N
XLogP2.83
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
CID 63930638
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
CID 81134459
1-[3-[(1R)-1-aminoethyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 78955931
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol (CID 81134404) is 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)COc2cccc(C(C)N)c2)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol?
The InChIKey is GEENMTZUEFKLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(18)13-5-3-8-16(9-13)21-11-17(19)14-6-4-7-15(10-14)20-2/h3-10,12,17,19H,11,18H2,1-2H3.
What are the key properties of 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol?
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).