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

C16H14BrF2NO — CID 114711538

IUPAC7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cccc(F)c2F)Oc2cc(Br)ccc21
InChIInChI=1S/C16H14BrF2NO/c1-20-13-8-15(11-3-2-4-12(18)16(11)19)21-14-7-9(17)5-6-10(13)14/h2-7,13,15,20H,8H2,1H3
InChIKeyMHTWTBDCLHTOHH-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.51
Rot. Bonds2

About 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711538) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711538
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cccc(F)c2F)Oc2cc(Br)ccc21
InChIInChI=1S/C16H14BrF2NO/c1-20-13-8-15(11-3-2-4-12(18)16(11)19)21-14-7-9(17)5-6-10(13)14/h2-7,13,15,20H,8H2,1H3
InChIKeyMHTWTBDCLHTOHH-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)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
7-bromo-N-methyl-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711607
6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713236
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711573
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
7-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939156
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712027
(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947604

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114711538) is 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cccc(F)c2F)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MHTWTBDCLHTOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-20-13-8-15(11-3-2-4-12(18)16(11)19)21-14-7-9(17)5-6-10(13)14/h2-7,13,15,20H,8H2,1H3.
What are the key properties of 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-(2,3-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 7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).