2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride

C12H20ClNO4 — CID 170891817

IUPAC2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cc(OC)c(CC(N)CO)c(OC)c1.Cl
InChIInChI=1S/C12H19NO4.ClH/c1-15-9-5-11(16-2)10(4-8(13)7-14)12(6-9)17-3;/h5-6,8,14H,4,7,13H2,1-3H3;1H
InChIKeyFXGIGJPVQFNREP-UHFFFAOYSA-N
MW277.75 g/mol
LogP1.00
Rot. Bonds6

About 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride

2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 170891817) has the molecular formula C12H20ClNO4 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
PubChem CID170891817
Molecular FormulaC12H20ClNO4
Molecular Weight277.75 g/mol
Exact Mass277.11
IUPAC Name2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cc(OC)c(CC(N)CO)c(OC)c1.Cl
InChIInChI=1S/C12H19NO4.ClH/c1-15-9-5-11(16-2)10(4-8(13)7-14)12(6-9)17-3;/h5-6,8,14H,4,7,13H2,1-3H3;1H
InChIKeyFXGIGJPVQFNREP-UHFFFAOYSA-N
XLogP1.00
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893691
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
CID 115120337
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
CID 170892242
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
CID 170891993

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride (CID 170891817) is 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride is COc1cc(OC)c(CC(N)CO)c(OC)c1.Cl.
What is the InChIKey of 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is FXGIGJPVQFNREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4.ClH/c1-15-9-5-11(16-2)10(4-8(13)7-14)12(6-9)17-3;/h5-6,8,14H,4,7,13H2,1-3H3;1H.
What are the key properties of 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride?
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170891817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).