2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole

C20H25N — CID 155678071

IUPAC2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCCCCC1Nc2ccccc2C1Cc1ccc(C)cc1
InChIInChI=1S/C20H25N/c1-3-4-8-20-18(14-16-12-10-15(2)11-13-16)17-7-5-6-9-19(17)21-20/h5-7,9-13,18,20-21H,3-4,8,14H2,1-2H3
InChIKeyUALCCQUVUGDRKG-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.31
Rot. Bonds5

About 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole

2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole (PubChem CID 155678071) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
PubChem CID155678071
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCCCCC1Nc2ccccc2C1Cc1ccc(C)cc1
InChIInChI=1S/C20H25N/c1-3-4-8-20-18(14-16-12-10-15(2)11-13-16)17-7-5-6-9-19(17)21-20/h5-7,9-13,18,20-21H,3-4,8,14H2,1-2H3
InChIKeyUALCCQUVUGDRKG-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole
CID 102138912
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
CID 10798169
2,7-dimethyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
CID 155678068
(3S,4S)-3-benzyl-4-propylazetidin-2-one
CID 11820200
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 95970001
2,4-dimethyl-1-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 142882854
2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79233018
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole (CID 155678071) is 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole is CCCCC1Nc2ccccc2C1Cc1ccc(C)cc1.
What is the InChIKey of 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is UALCCQUVUGDRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-4-8-20-18(14-16-12-10-15(2)11-13-16)17-7-5-6-9-19(17)21-20/h5-7,9-13,18,20-21H,3-4,8,14H2,1-2H3.
What are the key properties of 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole?
2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 279.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 155678071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).