2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H14BrClFNO — CID 114710554

IUPAC2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Br)cc2Cl)Oc2ccc(F)cc21
InChIInChI=1S/C16H14BrClFNO/c1-20-14-8-16(11-4-2-9(17)6-13(11)18)21-15-5-3-10(19)7-12(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeyFVWKJQNNTGEPQL-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.03
Rot. Bonds2

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

2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710554) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710554
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Br)cc2Cl)Oc2ccc(F)cc21
InChIInChI=1S/C16H14BrClFNO/c1-20-14-8-16(11-4-2-9(17)6-13(11)18)21-15-5-3-10(19)7-12(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeyFVWKJQNNTGEPQL-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710478
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
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
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114710554) is 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(Br)cc2Cl)Oc2ccc(F)cc21.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FVWKJQNNTGEPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-20-14-8-16(11-4-2-9(17)6-13(11)18)21-15-5-3-10(19)7-12(14)15/h2-7,14,16,20H,8H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 370.65 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).