6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol

C16H25FN2O — CID 103503977

IUPAC6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCc2ccc(F)cc21
InChIInChI=1S/C16H25FN2O/c1-16(12-20,18-2)8-3-4-9-19-10-7-13-5-6-14(17)11-15(13)19/h5-6,11,18,20H,3-4,7-10,12H2,1-2H3
InChIKeyOCDDCJZMBRHSSM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.33
Rot. Bonds7

About 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol

6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol (PubChem CID 103503977) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
PubChem CID103503977
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCc2ccc(F)cc21
InChIInChI=1S/C16H25FN2O/c1-16(12-20,18-2)8-3-4-9-19-10-7-13-5-6-14(17)11-15(13)19/h5-6,11,18,20H,3-4,7-10,12H2,1-2H3
InChIKeyOCDDCJZMBRHSSM-UHFFFAOYSA-N
XLogP2.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 103501869
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
CID 103495730
6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64797124
2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol
CID 103503991
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 103501908

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol?
The IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol (CID 103503977) is 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol.
What is the SMILES notation for 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol?
The canonical SMILES for 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol is CNC(C)(CO)CCCCN1CCc2ccc(F)cc21.
What is the InChIKey of 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol?
The InChIKey is OCDDCJZMBRHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-16(12-20,18-2)8-3-4-9-19-10-7-13-5-6-14(17)11-15(13)19/h5-6,11,18,20H,3-4,7-10,12H2,1-2H3.
What are the key properties of 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol?
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol is sourced from PubChem (CID 103503977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).