2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine

C15H24N2 — CID 162726892

IUPAC2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine
SMILESCCCCC1(CCNC)CNc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-4-9-15(10-11-16-2)12-17-14-8-6-5-7-13(14)15/h5-8,16-17H,3-4,9-12H2,1-2H3
InChIKeyORTLSBARMOJAOU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.15
Rot. Bonds6

About 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine

2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine (PubChem CID 162726892) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine
PubChem CID162726892
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine
SMILESCCCCC1(CCNC)CNc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-4-9-15(10-11-16-2)12-17-14-8-6-5-7-13(14)15/h5-8,16-17H,3-4,9-12H2,1-2H3
InChIKeyORTLSBARMOJAOU-UHFFFAOYSA-N
XLogP3.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dibutyl-2,4-dihydro-1H-quinoxaline
CID 176936563
9,9-dibutyl-10H-acridine
CID 22754314
1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide
CID 19711219
4-propyl-2,3-dihydro-1H-quinolin-4-ol
CID 54517448
(2S)-2-amino-3-[(3S)-3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
CID 58171326
2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
CID 67062782
3-iodo-3-methyl-1,2-dihydroindole
CID 166899388
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
N,N,3-trimethyl-1,2-dihydroindol-3-amine
CID 174390026
9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline
CID 155459617
(4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 14942450
3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid
CID 119092473

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine (CID 162726892) is 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine is CCCCC1(CCNC)CNc2ccccc21.
What is the InChIKey of 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine?
The InChIKey is ORTLSBARMOJAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-9-15(10-11-16-2)12-17-14-8-6-5-7-13(14)15/h5-8,16-17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine?
2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine has a molecular weight of 232.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 162726892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).