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

C17H18FN — CID 54910232

IUPAC1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc3c(c2)CCC3)ccc1F
InChIInChI=1S/C17H18FN/c1-19-11-16-10-15(7-8-17(16)18)14-6-5-12-3-2-4-13(12)9-14/h5-10,19H,2-4,11H2,1H3
InChIKeyNBRGUOSYLWFXMX-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.70
Rot. Bonds3

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

1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 54910232) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID54910232
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc3c(c2)CCC3)ccc1F
InChIInChI=1S/C17H18FN/c1-19-11-16-10-15(7-8-17(16)18)14-6-5-12-3-2-4-13(12)9-14/h5-10,19H,2-4,11H2,1H3
InChIKeyNBRGUOSYLWFXMX-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 116506604
N-[[4-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63428334
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 63019020
5-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 141092237
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 114841362
1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
CID 66259190
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine (CID 54910232) is 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine is CNCc1cc(-c2ccc3c(c2)CCC3)ccc1F.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is NBRGUOSYLWFXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-19-11-16-10-15(7-8-17(16)18)14-6-5-12-3-2-4-13(12)9-14/h5-10,19H,2-4,11H2,1H3.
What are the key properties of 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine?
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine has a molecular weight of 255.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 54910232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).