5-(1-amino-2-methylpropyl)-1H-indol-4-ol

C12H16N2O — CID 76846445

IUPAC5-(1-amino-2-methylpropyl)-1H-indol-4-ol
SMILESCC(C)C(N)c1ccc2[nH]ccc2c1O
InChIInChI=1S/C12H16N2O/c1-7(2)11(13)9-3-4-10-8(12(9)15)5-6-14-10/h3-7,11,14-15H,13H2,1-2H3
InChIKeySAOOEKCYPRLJQN-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.53
Rot. Bonds2

About 5-(1-amino-2-methylpropyl)-1H-indol-4-ol

5-(1-amino-2-methylpropyl)-1H-indol-4-ol (PubChem CID 76846445) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-1H-indol-4-ol.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-1H-indol-4-ol
PubChem CID76846445
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(1-amino-2-methylpropyl)-1H-indol-4-ol
SMILESCC(C)C(N)c1ccc2[nH]ccc2c1O
InChIInChI=1S/C12H16N2O/c1-7(2)11(13)9-3-4-10-8(12(9)15)5-6-14-10/h3-7,11,14-15H,13H2,1-2H3
InChIKeySAOOEKCYPRLJQN-UHFFFAOYSA-N
XLogP2.53
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-3-(4-hydroxy-1H-indol-5-yl)propanenitrile
CID 97056546
5-(1-aminobut-3-enyl)-1H-indol-4-ol
CID 76848376
tert-butyl N-[(2S)-2-amino-2-(4-hydroxy-1H-indol-5-yl)ethyl]carbamate
CID 97056526
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
5-iodo-1H-indol-4-ol
CID 15979130
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol
CID 130870954
2-(1-amino-2-methylpropyl)-6-fluorophenol
CID 55294236
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
CID 130690034
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-1H-indol-4-ol?
The IUPAC name of 5-(1-amino-2-methylpropyl)-1H-indol-4-ol (CID 76846445) is 5-(1-amino-2-methylpropyl)-1H-indol-4-ol.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-1H-indol-4-ol?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-1H-indol-4-ol is CC(C)C(N)c1ccc2[nH]ccc2c1O.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-1H-indol-4-ol?
The InChIKey is SAOOEKCYPRLJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)11(13)9-3-4-10-8(12(9)15)5-6-14-10/h3-7,11,14-15H,13H2,1-2H3.
What are the key properties of 5-(1-amino-2-methylpropyl)-1H-indol-4-ol?
5-(1-amino-2-methylpropyl)-1H-indol-4-ol has a molecular weight of 204.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-1H-indol-4-ol is sourced from PubChem (CID 76846445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).