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

C12H19NO4 — CID 112508543

IUPAC1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(O)CN)cc(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-15-10-5-8(4-9(14)7-13)6-11(16-2)12(10)17-3/h5-6,9,14H,4,7,13H2,1-3H3
InChIKeyBOOCBKTULGEMDZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.57
Rot. Bonds6

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

1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol (PubChem CID 112508543) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
PubChem CID112508543
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(O)CN)cc(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-15-10-5-8(4-9(14)7-13)6-11(16-2)12(10)17-3/h5-6,9,14H,4,7,13H2,1-3H3
InChIKeyBOOCBKTULGEMDZ-UHFFFAOYSA-N
XLogP0.57
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
CID 82397890
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
CID 112518377
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
1-(3,4,5-trimethoxyphenyl)pentan-2-amine
CID 3051170
2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine
CID 82353500
2-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 142078023
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
3-[2-(3,4,5-trimethoxyphenyl)ethylamino]propane-1,2-diol
CID 70584984
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol (CID 112508543) is 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol is COc1cc(CC(O)CN)cc(OC)c1OC.
What is the InChIKey of 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol?
The InChIKey is BOOCBKTULGEMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-10-5-8(4-9(14)7-13)6-11(16-2)12(10)17-3/h5-6,9,14H,4,7,13H2,1-3H3.
What are the key properties of 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol?
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol has a molecular weight of 241.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 112508543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).