N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H12BrF2NO — CID 43347570

IUPACN-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1cc(F)c(NC2CCOc3ccccc32)c(Br)c1
InChIInChI=1S/C15H12BrF2NO/c16-11-7-9(17)8-12(18)15(11)19-13-5-6-20-14-4-2-1-3-10(13)14/h1-4,7-8,13,19H,5-6H2
InChIKeyJTJLSIASFYEGQW-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.66
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine

N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43347570) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43347570
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1cc(F)c(NC2CCOc3ccccc32)c(Br)c1
InChIInChI=1S/C15H12BrF2NO/c16-11-7-9(17)8-12(18)15(11)19-13-5-6-20-14-4-2-1-3-10(13)14/h1-4,7-8,13,19H,5-6H2
InChIKeyJTJLSIASFYEGQW-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-N-(3,4-dihydro-2H-chromen-4-yl)-5-fluorobenzene-1,2-diamine
CID 66112506
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43775070
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61015894
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline
CID 43635249
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106263406
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43347570) is N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine is Fc1cc(F)c(NC2CCOc3ccccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JTJLSIASFYEGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-11-7-9(17)8-12(18)15(11)19-13-5-6-20-14-4-2-1-3-10(13)14/h1-4,7-8,13,19H,5-6H2.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 340.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43347570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).