3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline

C18H22N2O — CID 80726329

IUPAC3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(N2c3ccccc3CC2C)c1
InChIInChI=1S/C18H22N2O/c1-12(2)21-17-10-15(19)9-16(11-17)20-13(3)8-14-6-4-5-7-18(14)20/h4-7,9-13H,8,19H2,1-3H3
InChIKeyAOOADZPADJANSP-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.14
Rot. Bonds3

About 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline

3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline (PubChem CID 80726329) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline
PubChem CID80726329
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(N2c3ccccc3CC2C)c1
InChIInChI=1S/C18H22N2O/c1-12(2)21-17-10-15(19)9-16(11-17)20-13(3)8-14-6-4-5-7-18(14)20/h4-7,9-13H,8,19H2,1-3H3
InChIKeyAOOADZPADJANSP-UHFFFAOYSA-N
XLogP4.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperazin-1-yl)-5-propan-2-yloxyaniline
CID 80725422
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164303
2-amino-4-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 104500136
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112905248
1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 43510148
4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
CID 55067818
3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 102815035
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921
[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107274667
4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide
CID 63356081
1-methyl-5-(2-methyl-2,3-dihydroindol-1-yl)-3-propan-2-ylpyrazol-4-amine
CID 66017197

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline?
The IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline (CID 80726329) is 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline is CC(C)Oc1cc(N)cc(N2c3ccccc3CC2C)c1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline?
The InChIKey is AOOADZPADJANSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)21-17-10-15(19)9-16(11-17)20-13(3)8-14-6-4-5-7-18(14)20/h4-7,9-13H,8,19H2,1-3H3.
What are the key properties of 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline?
3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline has a molecular weight of 282.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline is sourced from PubChem (CID 80726329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).