4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine

C17H24FNO — CID 139677462

IUPAC4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ccc(F)c3c2CCC3)CC1
InChIInChI=1S/C17H24FNO/c1-19(2)12-6-8-13(9-7-12)20-17-11-10-16(18)14-4-3-5-15(14)17/h10-13H,3-9H2,1-2H3
InChIKeyRVFVQALICXPQFE-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.57
Rot. Bonds3

About 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine

4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine (PubChem CID 139677462) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
PubChem CID139677462
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ccc(F)c3c2CCC3)CC1
InChIInChI=1S/C17H24FNO/c1-19(2)12-6-8-13(9-7-12)20-17-11-10-16(18)14-4-3-5-15(14)17/h10-13H,3-9H2,1-2H3
InChIKeyRVFVQALICXPQFE-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine (CID 139677462) is 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCC(Oc2ccc(F)c3c2CCC3)CC1.
What is the InChIKey of 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is RVFVQALICXPQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-19(2)12-6-8-13(9-7-12)20-17-11-10-16(18)14-4-3-5-15(14)17/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 139677462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).