2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine

C17H17BrFNO — CID 115843109

IUPAC2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1ccc2c(c1)COC2
InChIInChI=1S/C17H17BrFNO/c1-20-17(7-11-4-5-15(19)8-16(11)18)12-2-3-13-9-21-10-14(13)6-12/h2-6,8,17,20H,7,9-10H2,1H3
InChIKeyYCIIWZXKECHSGI-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.12
Rot. Bonds4

About 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine

2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine (PubChem CID 115843109) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
PubChem CID115843109
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1ccc2c(c1)COC2
InChIInChI=1S/C17H17BrFNO/c1-20-17(7-11-4-5-15(19)8-16(11)18)12-2-3-13-9-21-10-14(13)6-12/h2-6,8,17,20H,7,9-10H2,1H3
InChIKeyYCIIWZXKECHSGI-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843631
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 63021279
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842981
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105136403
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
2-(2-bromo-4-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
CID 106691787

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine (CID 115843109) is 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Br)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine?
The InChIKey is YCIIWZXKECHSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-20-17(7-11-4-5-15(19)8-16(11)18)12-2-3-13-9-21-10-14(13)6-12/h2-6,8,17,20H,7,9-10H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine has a molecular weight of 350.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine is sourced from PubChem (CID 115843109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).