N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

C15H20FNO2 — CID 107386305

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCC1(C)OCC(CNC2CCc3cc(F)ccc32)O1
InChIInChI=1S/C15H20FNO2/c1-15(2)18-9-12(19-15)8-17-14-6-3-10-7-11(16)4-5-13(10)14/h4-5,7,12,14,17H,3,6,8-9H2,1-2H3
InChIKeyBJAGHHDEXBYFTI-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.55
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 107386305) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID107386305
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCC1(C)OCC(CNC2CCc3cc(F)ccc32)O1
InChIInChI=1S/C15H20FNO2/c1-15(2)18-9-12(19-15)8-17-14-6-3-10-7-11(16)4-5-13(10)14/h4-5,7,12,14,17H,3,6,8-9H2,1-2H3
InChIKeyBJAGHHDEXBYFTI-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107386609
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107386387
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
5-fluoro-N-(thiolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115727687
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708242
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115718703
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 103815251
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 107386158

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 107386305) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is CC1(C)OCC(CNC2CCc3cc(F)ccc32)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BJAGHHDEXBYFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2)18-9-12(19-15)8-17-14-6-3-10-7-11(16)4-5-13(10)14/h4-5,7,12,14,17H,3,6,8-9H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 265.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107386305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).