3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline

C17H20N2O — CID 43365585

IUPAC3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline
SMILESCC1Cc2ccccc2N1CCOc1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-13-11-14-5-2-3-8-17(14)19(13)9-10-20-16-7-4-6-15(18)12-16/h2-8,12-13H,9-11,18H2,1H3
InChIKeyIEYPEXYZYRXFPP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.10
Rot. Bonds4

About 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline

3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline (PubChem CID 43365585) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline
PubChem CID43365585
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline
SMILESCC1Cc2ccccc2N1CCOc1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-13-11-14-5-2-3-8-17(14)19(13)9-10-20-16-7-4-6-15(18)12-16/h2-8,12-13H,9-11,18H2,1H3
InChIKeyIEYPEXYZYRXFPP-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.10
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-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine
CID 43253614
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 36944261
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid
CID 20991558
4-[2-(3-aminophenoxy)ethyl]-1,4-benzoxazin-3-one
CID 43365763
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
CID 79677306
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentan-1-amine
CID 79570177
3-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]aniline
CID 62774777

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline (CID 43365585) is 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline is CC1Cc2ccccc2N1CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline?
The InChIKey is IEYPEXYZYRXFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-11-14-5-2-3-8-17(14)19(13)9-10-20-16-7-4-6-15(18)12-16/h2-8,12-13H,9-11,18H2,1H3.
What are the key properties of 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline?
3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline has a molecular weight of 268.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline is sourced from PubChem (CID 43365585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).