1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine

C17H18FNO — CID 106531226

IUPAC1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18FNO/c1-19-11-12-7-15(18)10-17(8-12)20-16-6-5-13-3-2-4-14(13)9-16/h5-10,19H,2-4,11H2,1H3
InChIKeyGIGCVJHDLOOOST-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.83
Rot. Bonds4

About 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine

1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106531226) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106531226
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18FNO/c1-19-11-12-7-15(18)10-17(8-12)20-16-6-5-13-3-2-4-14(13)9-16/h5-10,19H,2-4,11H2,1H3
InChIKeyGIGCVJHDLOOOST-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]-N-methylmethanamine
CID 63942120
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531241
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile
CID 102818056
1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
CID 81152018
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469602
N-methyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanamine
CID 63551846
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide
CID 90875893
1-[2-(2,3-dihydro-1H-inden-5-yloxy)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113378023

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine (CID 106531226) is 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)cc(Oc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is GIGCVJHDLOOOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-11-12-7-15(18)10-17(8-12)20-16-6-5-13-3-2-4-14(13)9-16/h5-10,19H,2-4,11H2,1H3.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106531226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).