2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol

C14H23NO4 — CID 62773539

IUPAC2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(O)CNC(C)C)cc(OC)c1OC
InChIInChI=1S/C14H23NO4/c1-9(2)15-8-11(16)10-6-12(17-3)14(19-5)13(7-10)18-4/h6-7,9,11,15-16H,8H2,1-5H3
InChIKeyWDRNEVTWPOQMID-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.74
Rot. Bonds7

About 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol

2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol (PubChem CID 62773539) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
PubChem CID62773539
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(O)CNC(C)C)cc(OC)c1OC
InChIInChI=1S/C14H23NO4/c1-9(2)15-8-11(16)10-6-12(17-3)14(19-5)13(7-10)18-4/h6-7,9,11,15-16H,8H2,1-5H3
InChIKeyWDRNEVTWPOQMID-UHFFFAOYSA-N
XLogP1.74
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79566976
2-sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 116830062
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 62773929
3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-ol
CID 115816807
5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethoxybenzaldehyde
CID 117350636
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
1-(5-tert-butyl-2-methoxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112510982
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
CID 110177993
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol (CID 62773539) is 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol is COc1cc(C(O)CNC(C)C)cc(OC)c1OC.
What is the InChIKey of 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol?
The InChIKey is WDRNEVTWPOQMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9(2)15-8-11(16)10-6-12(17-3)14(19-5)13(7-10)18-4/h6-7,9,11,15-16H,8H2,1-5H3.
What are the key properties of 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol?
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol has a molecular weight of 269.34 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 62773539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).