5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole

C21H27N — CID 3520254

IUPAC5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
SMILESCCC(C)c1ccc2c(c1)CC(c1ccc(C(C)C)cc1)N2
InChIInChI=1S/C21H27N/c1-5-15(4)18-10-11-20-19(12-18)13-21(22-20)17-8-6-16(7-9-17)14(2)3/h6-12,14-15,21-22H,5,13H2,1-4H3
InChIKeyRKULFXRUIXKEDZ-UHFFFAOYSA-N
MW293.45 g/mol
LogP6.03
Rot. Bonds4

About 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole

5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole (PubChem CID 3520254) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
PubChem CID3520254
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
SMILESCCC(C)c1ccc2c(c1)CC(c1ccc(C(C)C)cc1)N2
InChIInChI=1S/C21H27N/c1-5-15(4)18-10-11-20-19(12-18)13-21(22-20)17-8-6-16(7-9-17)14(2)3/h6-12,14-15,21-22H,5,13H2,1-4H3
InChIKeyRKULFXRUIXKEDZ-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 3531352
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047714
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713
2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 3435203
2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 4000551
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 10807358
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one
CID 116980818
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole (CID 3520254) is 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole is CCC(C)c1ccc2c(c1)CC(c1ccc(C(C)C)cc1)N2.
What is the InChIKey of 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is RKULFXRUIXKEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-5-15(4)18-10-11-20-19(12-18)13-21(22-20)17-8-6-16(7-9-17)14(2)3/h6-12,14-15,21-22H,5,13H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 293.45 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3520254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).