1-butan-2-yl-6-methoxy-2,3-dihydroindole

C13H19NO — CID 134369277

IUPAC1-butan-2-yl-6-methoxy-2,3-dihydroindole
SMILESCCC(C)N1CCc2ccc(OC)cc21
InChIInChI=1S/C13H19NO/c1-4-10(2)14-8-7-11-5-6-12(15-3)9-13(11)14/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyJNNXWXIEAMAWGC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.86
Rot. Bonds3

About 1-butan-2-yl-6-methoxy-2,3-dihydroindole

1-butan-2-yl-6-methoxy-2,3-dihydroindole (PubChem CID 134369277) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-butan-2-yl-6-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-butan-2-yl-6-methoxy-2,3-dihydroindole
PubChem CID134369277
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-butan-2-yl-6-methoxy-2,3-dihydroindole
SMILESCCC(C)N1CCc2ccc(OC)cc21
InChIInChI=1S/C13H19NO/c1-4-10(2)14-8-7-11-5-6-12(15-3)9-13(11)14/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyJNNXWXIEAMAWGC-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-6-methoxy-2,3-dihydroindole 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

1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 86703343
7-methoxy-1,2-dimethyl-3,4-dihydrocinnoline
CID 58095808
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
CID 82974186
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
2-(6-methoxy-2,3-dihydroindol-1-yl)-N,N-bis(trideuteriomethyl)ethanamine
CID 170972573
14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 22085729
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
6-[(2S)-butan-2-yl]-2,10-bis(4-methoxyphenyl)-5,7-dihydrobenzo[d][2]benzazepine
CID 139041670
4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
CID 116995755

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-methoxy-2,3-dihydroindole?
The IUPAC name of 1-butan-2-yl-6-methoxy-2,3-dihydroindole (CID 134369277) is 1-butan-2-yl-6-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-butan-2-yl-6-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-butan-2-yl-6-methoxy-2,3-dihydroindole is CCC(C)N1CCc2ccc(OC)cc21.
What is the InChIKey of 1-butan-2-yl-6-methoxy-2,3-dihydroindole?
The InChIKey is JNNXWXIEAMAWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10(2)14-8-7-11-5-6-12(15-3)9-13(11)14/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 1-butan-2-yl-6-methoxy-2,3-dihydroindole?
1-butan-2-yl-6-methoxy-2,3-dihydroindole has a molecular weight of 205.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-methoxy-2,3-dihydroindole is sourced from PubChem (CID 134369277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).