2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole

C14H21N — CID 4562956

IUPAC2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1ccc(C)c2c1CC(C(C)(C)C)N2
InChIInChI=1S/C14H21N/c1-9-6-7-10(2)13-11(9)8-12(15-13)14(3,4)5/h6-7,12,15H,8H2,1-5H3
InChIKeyBQDXWDWLPSADML-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.69
Rot. Bonds

About 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole

2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole (PubChem CID 4562956) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole
PubChem CID4562956
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1ccc(C)c2c1CC(C(C)(C)C)N2
InChIInChI=1S/C14H21N/c1-9-6-7-10(2)13-11(9)8-12(15-13)14(3,4)5/h6-7,12,15H,8H2,1-5H3
InChIKeyBQDXWDWLPSADML-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-6-chloro-7-methyl-2,3-dihydro-1H-indole
CID 4575819
4,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4657954
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3613734
1-(4,7-dimethyl-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739837
3-(4,7-dimethyl-2,3-dihydro-1H-indol-2-yl)propan-1-amine
CID 83860653
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5184611
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198293
3-tert-butyl-5-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84634983
(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130642989
2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3436838
(4-chloro-7-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83868565
2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 4203065

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole (CID 4562956) is 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole is Cc1ccc(C)c2c1CC(C(C)(C)C)N2.
What is the InChIKey of 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is BQDXWDWLPSADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-9-6-7-10(2)13-11(9)8-12(15-13)14(3,4)5/h6-7,12,15H,8H2,1-5H3.
What are the key properties of 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole?
2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 203.33 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,7-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4562956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).