5-(aminomethyl)-2-methyl-1H-indol-4-ol

C10H12N2O — CID 82599148

IUPAC5-(aminomethyl)-2-methyl-1H-indol-4-ol
SMILESCc1cc2c(O)c(CN)ccc2[nH]1
InChIInChI=1S/C10H12N2O/c1-6-4-8-9(12-6)3-2-7(5-11)10(8)13/h2-4,12-13H,5,11H2,1H3
InChIKeyNDBJXFWEMFCWAA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.64
Rot. Bonds1

About 5-(aminomethyl)-2-methyl-1H-indol-4-ol

5-(aminomethyl)-2-methyl-1H-indol-4-ol (PubChem CID 82599148) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-1H-indol-4-ol.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-1H-indol-4-ol
PubChem CID82599148
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(aminomethyl)-2-methyl-1H-indol-4-ol
SMILESCc1cc2c(O)c(CN)ccc2[nH]1
InChIInChI=1S/C10H12N2O/c1-6-4-8-9(12-6)3-2-7(5-11)10(8)13/h2-4,12-13H,5,11H2,1H3
InChIKeyNDBJXFWEMFCWAA-UHFFFAOYSA-N
XLogP1.64
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.64
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

5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid
CID 83819988
3-(4-hydroxy-2-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
CID 117370245
4-amino-2-methyl-1H-indol-5-ol
CID 82415321
(4-chloro-2-methyl-1H-indol-5-yl)methanol
CID 84666570
ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate
CID 11770383
3-(4-chloro-2-methyl-1H-indol-5-yl)propan-1-ol
CID 117321063
4-(aminomethyl)-2-methylbenzene-1,3-diol
CID 82502588
5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol
CID 117357774
1-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
CID 117312344
4-fluoro-2-methyl-1H-indol-5-amine
CID 44558426
1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435909
[3-(4-chloro-2-methyl-1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117411456

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-1H-indol-4-ol?
The IUPAC name of 5-(aminomethyl)-2-methyl-1H-indol-4-ol (CID 82599148) is 5-(aminomethyl)-2-methyl-1H-indol-4-ol.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-1H-indol-4-ol?
The canonical SMILES for 5-(aminomethyl)-2-methyl-1H-indol-4-ol is Cc1cc2c(O)c(CN)ccc2[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-1H-indol-4-ol?
The InChIKey is NDBJXFWEMFCWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-4-8-9(12-6)3-2-7(5-11)10(8)13/h2-4,12-13H,5,11H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyl-1H-indol-4-ol?
5-(aminomethyl)-2-methyl-1H-indol-4-ol has a molecular weight of 176.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-1H-indol-4-ol is sourced from PubChem (CID 82599148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).