4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine

C13H19FN2O — CID 103497162

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1CCc2ccc(F)cc21
InChIInChI=1S/C13H19FN2O/c1-17-12(9-15)5-7-16-6-4-10-2-3-11(14)8-13(10)16/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyQWRCKUMZFNXDQQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds5

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine

4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine (PubChem CID 103497162) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
PubChem CID103497162
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1CCc2ccc(F)cc21
InChIInChI=1S/C13H19FN2O/c1-17-12(9-15)5-7-16-6-4-10-2-3-11(14)8-13(10)16/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyQWRCKUMZFNXDQQ-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine 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

4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
CID 103501880
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
CID 103503737
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 103494447
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103502567
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
1-(3-chlorophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103502584

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine (CID 103497162) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine is COC(CN)CCN1CCc2ccc(F)cc21.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine?
The InChIKey is QWRCKUMZFNXDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-12(9-15)5-7-16-6-4-10-2-3-11(14)8-13(10)16/h2-3,8,12H,4-7,9,15H2,1H3.
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine?
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine is sourced from PubChem (CID 103497162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).