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

C16H15BrFN — CID 54902509

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(Br)c(CNC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H15BrFN/c17-16-6-5-14(18)7-13(16)10-19-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,19H,8-10H2
InChIKeyFKMGXQZFCSEXAS-UHFFFAOYSA-N
MW320.21 g/mol
LogP3.85
Rot. Bonds3

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

N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 54902509) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID54902509
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(Br)c(CNC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H15BrFN/c17-16-6-5-14(18)7-13(16)10-19-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,19H,8-10H2
InChIKeyFKMGXQZFCSEXAS-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 54902509) is N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is Fc1ccc(Br)c(CNC2Cc3ccccc3C2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FKMGXQZFCSEXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-16-6-5-14(18)7-13(16)10-19-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,19H,8-10H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 320.21 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 54902509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).