3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol

C13H21NO4 — CID 65190714

IUPAC3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
SMILESCOc1cc(OC)c(C(O)C(C)CN)cc1OC
InChIInChI=1S/C13H21NO4/c1-8(7-14)13(15)9-5-11(17-3)12(18-4)6-10(9)16-2/h5-6,8,13,15H,7,14H2,1-4H3
InChIKeyXOQNQDQUTITMDD-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.34
Rot. Bonds6

About 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol

3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol (PubChem CID 65190714) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
PubChem CID65190714
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
SMILESCOc1cc(OC)c(C(O)C(C)CN)cc1OC
InChIInChI=1S/C13H21NO4/c1-8(7-14)13(15)9-5-11(17-3)12(18-4)6-10(9)16-2/h5-6,8,13,15H,7,14H2,1-4H3
InChIKeyXOQNQDQUTITMDD-UHFFFAOYSA-N
XLogP1.34
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 162953882
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
3-chloro-1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
CID 171863317
4-hydroxy-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 79414175
1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933112
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369699
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol (CID 65190714) is 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol is COc1cc(OC)c(C(O)C(C)CN)cc1OC.
What is the InChIKey of 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol?
The InChIKey is XOQNQDQUTITMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-8(7-14)13(15)9-5-11(17-3)12(18-4)6-10(9)16-2/h5-6,8,13,15H,7,14H2,1-4H3.
What are the key properties of 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol?
3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 65190714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).