2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol

C17H21NO3 — CID 81134314

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(CO)c2ccccc2)c1
InChIInChI=1S/C17H21NO3/c1-21-15-9-5-8-14(10-15)17(20)11-18-16(12-19)13-6-3-2-4-7-13/h2-10,16-20H,11-12H2,1H3
InChIKeyXSTNWHONGWFHSW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.05
Rot. Bonds7

About 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol

2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134314) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
PubChem CID81134314
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(CO)c2ccccc2)c1
InChIInChI=1S/C17H21NO3/c1-21-15-9-5-8-14(10-15)17(20)11-18-16(12-19)13-6-3-2-4-7-13/h2-10,16-20H,11-12H2,1H3
InChIKeyXSTNWHONGWFHSW-UHFFFAOYSA-N
XLogP2.05
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
CID 81134021
1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol
CID 81134144

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol (CID 81134314) is 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC(CO)c2ccccc2)c1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is XSTNWHONGWFHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-21-15-9-5-8-14(10-15)17(20)11-18-16(12-19)13-6-3-2-4-7-13/h2-10,16-20H,11-12H2,1H3.
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol?
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).