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

C15H23FN2O2 — CID 103494447

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCc2ccc(F)cc21)OC
InChIInChI=1S/C15H23FN2O2/c1-15(10-17,9-14(19-2)20-3)18-7-6-11-4-5-12(16)8-13(11)18/h4-5,8,14H,6-7,9-10,17H2,1-3H3
InChIKeyPCJQEOPTPUWVDN-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.91
Rot. Bonds6

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

2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (PubChem CID 103494447) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
PubChem CID103494447
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCc2ccc(F)cc21)OC
InChIInChI=1S/C15H23FN2O2/c1-15(10-17,9-14(19-2)20-3)18-7-6-11-4-5-12(16)8-13(11)18/h4-5,8,14H,6-7,9-10,17H2,1-3H3
InChIKeyPCJQEOPTPUWVDN-UHFFFAOYSA-N
XLogP1.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
CID 66180815
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
CID 103497162
CID 158124284
CID 158124284
[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methoxyphenyl]methanamine
CID 103494040
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
CID 103495730
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
CID 103810185
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (CID 103494447) is 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is COC(CC(C)(CN)N1CCc2ccc(F)cc21)OC.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The InChIKey is PCJQEOPTPUWVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(10-17,9-14(19-2)20-3)18-7-6-11-4-5-12(16)8-13(11)18/h4-5,8,14H,6-7,9-10,17H2,1-3H3.
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine has a molecular weight of 282.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is sourced from PubChem (CID 103494447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).