6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H14BrF2NO — CID 114713236

IUPAC6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(F)ccc2F)Oc2ccc(Br)cc21
InChIInChI=1S/C16H14BrF2NO/c1-20-14-8-16(11-7-10(18)3-4-13(11)19)21-15-5-2-9(17)6-12(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeyMZSMBCVMHXAEJW-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.51
Rot. Bonds2

About 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713236) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713236
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(F)ccc2F)Oc2ccc(Br)cc21
InChIInChI=1S/C16H14BrF2NO/c1-20-14-8-16(11-7-10(18)3-4-13(11)19)21-15-5-2-9(17)6-12(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeyMZSMBCVMHXAEJW-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554
(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309
2-(5-bromothiophen-2-yl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710588
2-(3-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 105404416
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
6-fluoro-2-(3-fluoro-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710423
7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711538

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114713236) is 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cc(F)ccc2F)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MZSMBCVMHXAEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-20-14-8-16(11-7-10(18)3-4-13(11)19)21-15-5-2-9(17)6-12(14)15/h2-7,14,16,20H,8H2,1H3.
What are the key properties of 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 354.19 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).