2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol

C18H23NO4 — CID 3744836

IUPAC2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(CNC(CO)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C18H23NO4/c1-21-16-10-9-14(17(22-2)18(16)23-3)11-19-15(12-20)13-7-5-4-6-8-13/h4-10,15,19-20H,11-12H2,1-3H3
InChIKeyFRVAXXFBVSBURE-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.54
Rot. Bonds8

About 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol

2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol (PubChem CID 3744836) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
PubChem CID3744836
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(CNC(CO)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C18H23NO4/c1-21-16-10-9-14(17(22-2)18(16)23-3)11-19-15(12-20)13-7-5-4-6-8-13/h4-10,15,19-20H,11-12H2,1-3H3
InChIKeyFRVAXXFBVSBURE-UHFFFAOYSA-N
XLogP2.54
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 1368185
3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 79254161
(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol
CID 103766342
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid
CID 65054790
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
N-(2-methyl-1-phenylpropyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090606

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol (CID 3744836) is 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol is COc1ccc(CNC(CO)c2ccccc2)c(OC)c1OC.
What is the InChIKey of 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol?
The InChIKey is FRVAXXFBVSBURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-16-10-9-14(17(22-2)18(16)23-3)11-19-15(12-20)13-7-5-4-6-8-13/h4-10,15,19-20H,11-12H2,1-3H3.
What are the key properties of 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol?
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol has a molecular weight of 317.39 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 3744836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).