2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole

C19H23N — CID 65042023

IUPAC2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc(CC2Cc3ccccc3N2)cc1
InChIInChI=1S/C19H23N/c1-19(2,3)16-10-8-14(9-11-16)12-17-13-15-6-4-5-7-18(15)20-17/h4-11,17,20H,12-13H2,1-3H3
InChIKeyHZSHXRKNMISFKK-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.56
Rot. Bonds2

About 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole

2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole (PubChem CID 65042023) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole
PubChem CID65042023
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc(CC2Cc3ccccc3N2)cc1
InChIInChI=1S/C19H23N/c1-19(2,3)16-10-8-14(9-11-16)12-17-13-15-6-4-5-7-18(15)20-17/h4-11,17,20H,12-13H2,1-3H3
InChIKeyHZSHXRKNMISFKK-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole
CID 65041975
2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole
CID 65041795
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
2-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole
CID 65042265
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 112736749
2-[4-[3-(2,3-dihydro-1H-indol-2-ylmethyl)phenyl]phenyl]ethanol
CID 69178546
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 80567476
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole (CID 65042023) is 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole is CC(C)(C)c1ccc(CC2Cc3ccccc3N2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is HZSHXRKNMISFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-19(2,3)16-10-8-14(9-11-16)12-17-13-15-6-4-5-7-18(15)20-17/h4-11,17,20H,12-13H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole?
2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 265.40 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 65042023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).