2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol

C12H16N2O2 — CID 30359

IUPAC2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol
SMILESCOc1ccc2[nH]cc(CC(N)CO)c2c1
InChIInChI=1S/C12H16N2O2/c1-16-10-2-3-12-11(5-10)8(6-14-12)4-9(13)7-15/h2-3,5-6,9,14-15H,4,7,13H2,1H3
InChIKeyZTSHEMWPFPNRGQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol

2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol (PubChem CID 30359) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol
PubChem CID30359
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol
SMILESCOc1ccc2[nH]cc(CC(N)CO)c2c1
InChIInChI=1S/C12H16N2O2/c1-16-10-2-3-12-11(5-10)8(6-14-12)4-9(13)7-15/h2-3,5-6,9,14-15H,4,7,13H2,1H3
InChIKeyZTSHEMWPFPNRGQ-UHFFFAOYSA-N
XLogP1.04
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(5-methoxy-1H-indol-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol (CID 30359) is 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol is COc1ccc2[nH]cc(CC(N)CO)c2c1.
What is the InChIKey of 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol?
The InChIKey is ZTSHEMWPFPNRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-10-2-3-12-11(5-10)8(6-14-12)4-9(13)7-15/h2-3,5-6,9,14-15H,4,7,13H2,1H3.
What are the key properties of 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol?
2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 30359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).