2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol

C17H21NO3 — CID 107862653

IUPAC2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
SMILESCCOc1cc(CN[C@@H](CO)c2ccccc2)ccc1O
InChIInChI=1S/C17H21NO3/c1-2-21-17-10-13(8-9-16(17)20)11-18-15(12-19)14-6-4-3-5-7-14/h3-10,15,18-20H,2,11-12H2,1H3/t15-/m0/s1
InChIKeyIZCFNQFALGOENP-HNNXBMFYSA-N
MW287.36 g/mol
LogP2.61
Rot. Bonds7

About 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol

2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol (PubChem CID 107862653) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
PubChem CID107862653
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
SMILESCCOc1cc(CN[C@@H](CO)c2ccccc2)ccc1O
InChIInChI=1S/C17H21NO3/c1-2-21-17-10-13(8-9-16(17)20)11-18-15(12-19)14-6-4-3-5-7-14/h3-10,15,18-20H,2,11-12H2,1H3/t15-/m0/s1
InChIKeyIZCFNQFALGOENP-HNNXBMFYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484
2-[(3-ethoxy-4-hydroxyphenyl)methylamino]pentanoic acid
CID 65055711
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901
2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 43181668
4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156010
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 81403520

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol (CID 107862653) is 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol is CCOc1cc(CN[C@@H](CO)c2ccccc2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol?
The InChIKey is IZCFNQFALGOENP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-21-17-10-13(8-9-16(17)20)11-18-15(12-19)14-6-4-3-5-7-14/h3-10,15,18-20H,2,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol?
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol is sourced from PubChem (CID 107862653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).