2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol

C12H19NO3 — CID 170893212

IUPAC2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
SMILESCCOc1c(CC(N)CO)cccc1OC
InChIInChI=1S/C12H19NO3/c1-3-16-12-9(7-10(13)8-14)5-4-6-11(12)15-2/h4-6,10,14H,3,7-8,13H2,1-2H3
InChIKeyRHCQPXXEPLKERA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.96
Rot. Bonds6

About 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol

2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol (PubChem CID 170893212) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
PubChem CID170893212
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
SMILESCCOc1c(CC(N)CO)cccc1OC
InChIInChI=1S/C12H19NO3/c1-3-16-12-9(7-10(13)8-14)5-4-6-11(12)15-2/h4-6,10,14H,3,7-8,13H2,1-2H3
InChIKeyRHCQPXXEPLKERA-UHFFFAOYSA-N
XLogP0.96
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol 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-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
2-(2-ethoxy-3-methoxyphenyl)acetate
CID 7139419
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol
CID 112512175
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
CID 60907393
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol (CID 170893212) is 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol is CCOc1c(CC(N)CO)cccc1OC.
What is the InChIKey of 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol?
The InChIKey is RHCQPXXEPLKERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-12-9(7-10(13)8-14)5-4-6-11(12)15-2/h4-6,10,14H,3,7-8,13H2,1-2H3.
What are the key properties of 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol?
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 170893212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).