3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol

C12H18N2O — CID 79138292

IUPAC3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
SMILESCN1CCc2cc(C(O)CCN)ccc21
InChIInChI=1S/C12H18N2O/c1-14-7-5-9-8-10(2-3-11(9)14)12(15)4-6-13/h2-3,8,12,15H,4-7,13H2,1H3
InChIKeyGSRQDJTVDRAAFI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.06
Rot. Bonds3

About 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol

3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol (PubChem CID 79138292) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
PubChem CID79138292
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
SMILESCN1CCc2cc(C(O)CCN)ccc21
InChIInChI=1S/C12H18N2O/c1-14-7-5-9-8-10(2-3-11(9)14)12(15)4-6-13/h2-3,8,12,15H,4-7,13H2,1H3
InChIKeyGSRQDJTVDRAAFI-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-amino-1-(1-methyl-2,3-dihydroindol-5-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

Related Compounds

4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol
CID 103035119
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530
butyl 4-hydroxy-4-(1-methyl-2,3-dihydroindol-5-yl)butanoate
CID 62095628
(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 95941519
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 103039006
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 79188674

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol (CID 79138292) is 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol is CN1CCc2cc(C(O)CCN)ccc21.
What is the InChIKey of 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol?
The InChIKey is GSRQDJTVDRAAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-5-9-8-10(2-3-11(9)14)12(15)4-6-13/h2-3,8,12,15H,4-7,13H2,1H3.
What are the key properties of 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol?
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol is sourced from PubChem (CID 79138292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).