3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol

C10H11ClN2O — CID 105464578

IUPAC3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol
SMILESCc1[nH]c2cc(O)c(Cl)cc2c1CN
InChIInChI=1S/C10H11ClN2O/c1-5-7(4-12)6-2-8(11)10(14)3-9(6)13-5/h2-3,13-14H,4,12H2,1H3
InChIKeyJNPLHDPDADRPJL-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.29
Rot. Bonds1

About 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol

3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol (PubChem CID 105464578) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol
PubChem CID105464578
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol
SMILESCc1[nH]c2cc(O)c(Cl)cc2c1CN
InChIInChI=1S/C10H11ClN2O/c1-5-7(4-12)6-2-8(11)10(14)3-9(6)13-5/h2-3,13-14H,4,12H2,1H3
InChIKeyJNPLHDPDADRPJL-UHFFFAOYSA-N
XLogP2.29
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-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 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol (CID 105464578) is 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol is Cc1[nH]c2cc(O)c(Cl)cc2c1CN.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol?
The InChIKey is JNPLHDPDADRPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-5-7(4-12)6-2-8(11)10(14)3-9(6)13-5/h2-3,13-14H,4,12H2,1H3.
What are the key properties of 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol?
3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol has a molecular weight of 210.66 g/mol, XLogP of 2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-methyl-1H-indol-6-ol is sourced from PubChem (CID 105464578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).