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

C16H14BrClFNO — CID 114711144

IUPAC2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Br)ccc2F)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H14BrClFNO/c1-20-14-8-16(11-6-9(17)2-4-13(11)19)21-15-5-3-10(18)7-12(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeyWUULRGOHAYUDAV-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.03
Rot. Bonds2

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

2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711144) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711144
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Br)ccc2F)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H14BrClFNO/c1-20-14-8-16(11-6-9(17)2-4-13(11)19)21-15-5-3-10(18)7-12(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeyWUULRGOHAYUDAV-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)-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
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711217
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309
7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711538
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711207

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114711144) is 2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cc(Br)ccc2F)Oc2ccc(Cl)cc21.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WUULRGOHAYUDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-20-14-8-16(11-6-9(17)2-4-13(11)19)21-15-5-3-10(18)7-12(14)15/h2-7,14,16,20H,8H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(5-bromo-2-fluorophenyl)-6-chloro-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-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).