1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine

C17H17BrFNO — CID 105049062

IUPAC1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1Br)c1cccc2c1OCCC2
InChIInChI=1S/C17H17BrFNO/c1-20-16(14-10-12(19)7-8-15(14)18)13-6-2-4-11-5-3-9-21-17(11)13/h2,4,6-8,10,16,20H,3,5,9H2,1H3
InChIKeyHQNGCXHOFLBQPH-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.22
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine

1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine (PubChem CID 105049062) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
PubChem CID105049062
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1Br)c1cccc2c1OCCC2
InChIInChI=1S/C17H17BrFNO/c1-20-16(14-10-12(19)7-8-15(14)18)13-6-2-4-11-5-3-9-21-17(11)13/h2,4,6-8,10,16,20H,3,5,9H2,1H3
InChIKeyHQNGCXHOFLBQPH-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-5-fluorophenyl)-N-methylmethanamine
CID 104541688
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
1-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053193
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341826
[3,4-dihydro-2H-chromen-8-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105257545
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049004

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine (CID 105049062) is 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine is CNC(c1cc(F)ccc1Br)c1cccc2c1OCCC2.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
The InChIKey is HQNGCXHOFLBQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-20-16(14-10-12(19)7-8-15(14)18)13-6-2-4-11-5-3-9-21-17(11)13/h2,4,6-8,10,16,20H,3,5,9H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine?
1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine has a molecular weight of 350.23 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine is sourced from PubChem (CID 105049062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).