4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline

C18H22N2 — CID 82024554

IUPAC4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline
SMILESCC(C)C(c1ccc(N)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H22N2/c1-13(2)18(15-7-9-16(19)10-8-15)20-12-11-14-5-3-4-6-17(14)20/h3-10,13,18H,11-12,19H2,1-2H3
InChIKeyBEYDAVYWJCUVAD-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.03
Rot. Bonds3

About 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline

4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline (PubChem CID 82024554) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline.

Molecular Properties

Compound Name4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline
PubChem CID82024554
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline
SMILESCC(C)C(c1ccc(N)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H22N2/c1-13(2)18(15-7-9-16(19)10-8-15)20-12-11-14-5-3-4-6-17(14)20/h3-10,13,18H,11-12,19H2,1-2H3
InChIKeyBEYDAVYWJCUVAD-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
CID 82040813
3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one
CID 104502030
2-(2,3-dihydroindol-1-yl)-3-methoxypropan-1-amine
CID 103225380
(2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol
CID 68906969
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
(2S)-2-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)acetamide
CID 51641515
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
(2S)-2-(4-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51524524
1-(1-piperidin-4-ylethyl)-2,3-dihydroindole
CID 105488726
4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)aniline
CID 59935116
2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile
CID 121255123
1-(1-methoxypropyl)-2,3-dihydroindole
CID 89013403

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline?
The IUPAC name of 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline (CID 82024554) is 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline.
What is the SMILES notation for 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline?
The canonical SMILES for 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline is CC(C)C(c1ccc(N)cc1)N1CCc2ccccc21.
What is the InChIKey of 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline?
The InChIKey is BEYDAVYWJCUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13(2)18(15-7-9-16(19)10-8-15)20-12-11-14-5-3-4-6-17(14)20/h3-10,13,18H,11-12,19H2,1-2H3.
What are the key properties of 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline?
4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline is sourced from PubChem (CID 82024554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).