5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine

C16H15ClFN — CID 81300561

IUPAC5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccccc1CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C16H15ClFN/c17-14-6-5-11-8-15(9-13(11)7-14)19-10-12-3-1-2-4-16(12)18/h1-7,15,19H,8-10H2
InChIKeyUSPAORHJYJJEEF-UHFFFAOYSA-N
MW275.75 g/mol
LogP3.74
Rot. Bonds3

About 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 81300561) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID81300561
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccccc1CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C16H15ClFN/c17-14-6-5-11-8-15(9-13(11)7-14)19-10-12-3-1-2-4-16(12)18/h1-7,15,19H,8-10H2
InChIKeyUSPAORHJYJJEEF-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 81300561) is 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is Fc1ccccc1CNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is USPAORHJYJJEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-14-6-5-11-8-15(9-13(11)7-14)19-10-12-3-1-2-4-16(12)18/h1-7,15,19H,8-10H2.
What are the key properties of 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 275.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81300561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).