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

C13H20N2O — CID 79138006

IUPAC3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
SMILESCC(CN)C(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C13H20N2O/c1-9(8-14)13(16)11-3-4-12-10(7-11)5-6-15(12)2/h3-4,7,9,13,16H,5-6,8,14H2,1-2H3
InChIKeyZZGMDPJNWPCZLO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.31
Rot. Bonds3

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

3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol (PubChem CID 79138006) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
PubChem CID79138006
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
SMILESCC(CN)C(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C13H20N2O/c1-9(8-14)13(16)11-3-4-12-10(7-11)5-6-15(12)2/h3-4,7,9,13,16H,5-6,8,14H2,1-2H3
InChIKeyZZGMDPJNWPCZLO-UHFFFAOYSA-N
XLogP1.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530
N-cyclopropyl-1-(1-methyl-2,3-dihydroindol-5-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62095166
2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 79188674
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(propan-2-ylamino)acetamide
CID 62095835
5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
CID 107316969
N-[2-(dimethylamino)ethyl]-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 63694643
N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096356
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol (CID 79138006) is 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol is CC(CN)C(O)c1ccc2c(c1)CCN2C.
What is the InChIKey of 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol?
The InChIKey is ZZGMDPJNWPCZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(8-14)13(16)11-3-4-12-10(7-11)5-6-15(12)2/h3-4,7,9,13,16H,5-6,8,14H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol?
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol is sourced from PubChem (CID 79138006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).