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

C16H15ClFN — CID 114452205

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(Cl)cc(CNC2CCc3ccccc32)c1
InChIInChI=1S/C16H15ClFN/c17-13-7-11(8-14(18)9-13)10-19-16-6-5-12-3-1-2-4-15(12)16/h1-4,7-9,16,19H,5-6,10H2
InChIKeyOXUWMZQOCOIFJS-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.26
Rot. Bonds3

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

N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 114452205) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID114452205
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(Cl)cc(CNC2CCc3ccccc32)c1
InChIInChI=1S/C16H15ClFN/c17-13-7-11(8-14(18)9-13)10-19-16-6-5-12-3-1-2-4-15(12)16/h1-4,7-9,16,19H,5-6,10H2
InChIKeyOXUWMZQOCOIFJS-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 114452205) is N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is Fc1cc(Cl)cc(CNC2CCc3ccccc32)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OXUWMZQOCOIFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-13-7-11(8-14(18)9-13)10-19-16-6-5-12-3-1-2-4-15(12)16/h1-4,7-9,16,19H,5-6,10H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.75 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114452205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).