6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine

C12H15BrFNO — CID 43537674

IUPAC6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1c2cc(Br)cc(F)c2OCC1C
InChIInChI=1S/C12H15BrFNO/c1-3-15-11-7(2)6-16-12-9(11)4-8(13)5-10(12)14/h4-5,7,11,15H,3,6H2,1-2H3
InChIKeyWILLHKHGZXBYCV-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.27
Rot. Bonds2

About 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537674) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537674
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1c2cc(Br)cc(F)c2OCC1C
InChIInChI=1S/C12H15BrFNO/c1-3-15-11-7(2)6-16-12-9(11)4-8(13)5-10(12)14/h4-5,7,11,15H,3,6H2,1-2H3
InChIKeyWILLHKHGZXBYCV-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 82236018
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64719518
5-bromo-N-cyclopropyl-7-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 43512253
N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine
CID 43537687
5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048927
5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 115410640
7-bromo-9-fluoro-3-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82233598
6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 63213338
7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234776
7,9-dibromo-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 64720631
5-bromo-1,3-difluoro-2-methylbenzene;propane
CID 142352464
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol
CID 115403013

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 43537674) is 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine is CCNC1c2cc(Br)cc(F)c2OCC1C.
What is the InChIKey of 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WILLHKHGZXBYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-3-15-11-7(2)6-16-12-9(11)4-8(13)5-10(12)14/h4-5,7,11,15H,3,6H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.16 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).