3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

C15H20F3N — CID 106986184

IUPAC3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCCC(C)CC1CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H20F3N/c1-3-4-10(2)7-11-9-19-14-6-5-12(8-13(11)14)15(16,17)18/h5-6,8,10-11,19H,3-4,7,9H2,1-2H3
InChIKeyDVUUCWAEYNIRMO-UHFFFAOYSA-N
MW271.33 g/mol
LogP5.04
Rot. Bonds4

About 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 106986184) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID106986184
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCCC(C)CC1CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H20F3N/c1-3-4-10(2)7-11-9-19-14-6-5-12(8-13(11)14)15(16,17)18/h5-6,8,10-11,19H,3-4,7,9H2,1-2H3
InChIKeyDVUUCWAEYNIRMO-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole
CID 106986180
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine
CID 143454290
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol
CID 22735329
3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106985958
2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502366
2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine
CID 82622397
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 106986184) is 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is CCCC(C)CC1CNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is DVUUCWAEYNIRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-3-4-10(2)7-11-9-19-14-6-5-12(8-13(11)14)15(16,17)18/h5-6,8,10-11,19H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 271.33 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).