5-methoxy-2,3-dimethyl-1H-indol-4-amine

C11H14N2O — CID 84771527

IUPAC5-methoxy-2,3-dimethyl-1H-indol-4-amine
SMILESCOc1ccc2[nH]c(C)c(C)c2c1N
InChIInChI=1S/C11H14N2O/c1-6-7(2)13-8-4-5-9(14-3)11(12)10(6)8/h4-5,13H,12H2,1-3H3
InChIKeyAZCANDYGAWUCKA-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.38
Rot. Bonds1

About 5-methoxy-2,3-dimethyl-1H-indol-4-amine

5-methoxy-2,3-dimethyl-1H-indol-4-amine (PubChem CID 84771527) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-methoxy-2,3-dimethyl-1H-indol-4-amine.

Molecular Properties

Compound Name5-methoxy-2,3-dimethyl-1H-indol-4-amine
PubChem CID84771527
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-methoxy-2,3-dimethyl-1H-indol-4-amine
SMILESCOc1ccc2[nH]c(C)c(C)c2c1N
InChIInChI=1S/C11H14N2O/c1-6-7(2)13-8-4-5-9(14-3)11(12)10(6)8/h4-5,13H,12H2,1-3H3
InChIKeyAZCANDYGAWUCKA-UHFFFAOYSA-N
XLogP2.38
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine
CID 84793739
2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine
CID 82393219
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
methane;2,3,4,5-tetramethyl-1H-indole
CID 174502737
2-fluoro-6-methoxy-3-methylaniline
CID 84763578
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
2,3,4,5-tetramethyl-1H-indol-6-amine
CID 18459482
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
benzene;2,3,4,5-tetramethyl-1H-indole
CID 174464516
5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine
CID 82387457
7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine
CID 67973389

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dimethyl-1H-indol-4-amine?
The IUPAC name of 5-methoxy-2,3-dimethyl-1H-indol-4-amine (CID 84771527) is 5-methoxy-2,3-dimethyl-1H-indol-4-amine.
What is the SMILES notation for 5-methoxy-2,3-dimethyl-1H-indol-4-amine?
The canonical SMILES for 5-methoxy-2,3-dimethyl-1H-indol-4-amine is COc1ccc2[nH]c(C)c(C)c2c1N.
What is the InChIKey of 5-methoxy-2,3-dimethyl-1H-indol-4-amine?
The InChIKey is AZCANDYGAWUCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6-7(2)13-8-4-5-9(14-3)11(12)10(6)8/h4-5,13H,12H2,1-3H3.
What are the key properties of 5-methoxy-2,3-dimethyl-1H-indol-4-amine?
5-methoxy-2,3-dimethyl-1H-indol-4-amine has a molecular weight of 190.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dimethyl-1H-indol-4-amine is sourced from PubChem (CID 84771527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).