N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine

C16H16FN — CID 43195451

IUPACN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(F)cc1NC1CCc2ccccc21
InChIInChI=1S/C16H16FN/c1-11-6-8-13(17)10-16(11)18-15-9-7-12-4-2-3-5-14(12)15/h2-6,8,10,15,18H,7,9H2,1H3
InChIKeyVAZVHRHIISBCCU-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.23
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine

N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43195451) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID43195451
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(F)cc1NC1CCc2ccccc21
InChIInChI=1S/C16H16FN/c1-11-6-8-13(17)10-16(11)18-15-9-7-12-4-2-3-5-14(12)15/h2-6,8,10,15,18H,7,9H2,1H3
InChIKeyVAZVHRHIISBCCU-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 43195451) is N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine is Cc1ccc(F)cc1NC1CCc2ccccc21.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VAZVHRHIISBCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-11-6-8-13(17)10-16(11)18-15-9-7-12-4-2-3-5-14(12)15/h2-6,8,10,15,18H,7,9H2,1H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43195451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).