N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine

C12H16N2O — CID 134536528

IUPACN-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCONCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H16N2O/c1-9-10(7-8-13-15-2)11-5-3-4-6-12(11)14-9/h3-6,13-14H,7-8H2,1-2H3
InChIKeyAOPKABJJKUDFDY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.17
Rot. Bonds4

About N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine

N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 134536528) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
PubChem CID134536528
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCONCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H16N2O/c1-9-10(7-8-13-15-2)11-5-3-4-6-12(11)14-9/h3-6,13-14H,7-8H2,1-2H3
InChIKeyAOPKABJJKUDFDY-UHFFFAOYSA-N
XLogP2.17
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine 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

N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 110941362
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine (CID 134536528) is N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine is CONCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is AOPKABJJKUDFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-10(7-8-13-15-2)11-5-3-4-6-12(11)14-9/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine?
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 204.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 134536528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).