2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one

C15H21FN2O — CID 103810185

IUPAC2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
SMILESCC(C)CC(CN)C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O/c1-10(2)7-12(9-17)15(19)18-6-5-11-3-4-13(16)8-14(11)18/h3-4,8,10,12H,5-7,9,17H2,1-2H3
InChIKeyJFLRMKJMTOEOJU-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.34
Rot. Bonds4

About 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one

2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one (PubChem CID 103810185) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
PubChem CID103810185
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
SMILESCC(C)CC(CN)C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O/c1-10(2)7-12(9-17)15(19)18-6-5-11-3-4-13(16)8-14(11)18/h3-4,8,10,12H,5-7,9,17H2,1-2H3
InChIKeyJFLRMKJMTOEOJU-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
CID 103501035
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852
4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 103500124
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
3-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]-2-methylbutanoic acid
CID 103499843
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107037118
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one (CID 103810185) is 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one is CC(C)CC(CN)C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one?
The InChIKey is JFLRMKJMTOEOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(2)7-12(9-17)15(19)18-6-5-11-3-4-13(16)8-14(11)18/h3-4,8,10,12H,5-7,9,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one?
2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 103810185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).