5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole

C13H19N — CID 106820143

IUPAC5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)C(CC(C)C)CN2
InChIInChI=1S/C13H19N/c1-9(2)6-11-8-14-13-5-4-10(3)7-12(11)13/h4-5,7,9,11,14H,6,8H2,1-3H3
InChIKeyQWIJRZLTUVWJCQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.55
Rot. Bonds2

About 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole

5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole (PubChem CID 106820143) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
PubChem CID106820143
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)C(CC(C)C)CN2
InChIInChI=1S/C13H19N/c1-9(2)6-11-8-14-13-5-4-10(3)7-12(11)13/h4-5,7,9,11,14H,6,8H2,1-3H3
InChIKeyQWIJRZLTUVWJCQ-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 117201839
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126
2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860329
7-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217342
6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460978
(3S)-7-bromo-3-(2-methylpropyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 124517146
3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole
CID 106820137
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
7-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986370
5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole
CID 106820144
3-(5-bromo-2,3-dihydro-1H-indol-3-yl)-2-methylpropanoic acid
CID 117202166

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole (CID 106820143) is 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole is Cc1ccc2c(c1)C(CC(C)C)CN2.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The InChIKey is QWIJRZLTUVWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)6-11-8-14-13-5-4-10(3)7-12(11)13/h4-5,7,9,11,14H,6,8H2,1-3H3.
What are the key properties of 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole has a molecular weight of 189.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106820143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).