(5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine

C16H13BrFNO2 — CID 82958164

IUPAC(5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2cc(C(N)c3cc(Br)ccc3F)oc2c1
InChIInChI=1S/C16H13BrFNO2/c1-20-11-4-2-9-6-15(21-14(9)8-11)16(19)12-7-10(17)3-5-13(12)18/h2-8,16H,19H2,1H3
InChIKeyLERAVBOSAOLUGZ-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.39
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine

(5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 82958164) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID82958164
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name(5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2cc(C(N)c3cc(Br)ccc3F)oc2c1
InChIInChI=1S/C16H13BrFNO2/c1-20-11-4-2-9-6-15(21-14(9)8-11)16(19)12-7-10(17)3-5-13(12)18/h2-8,16H,19H2,1H3
InChIKeyLERAVBOSAOLUGZ-UHFFFAOYSA-N
XLogP4.39
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine
CID 61263642
2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 131548433
1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114894603
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 62915012
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65308241
(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 71568461
(1R)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82964495
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
N-[(5-bromo-2-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43494987

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine (CID 82958164) is (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine is COc1ccc2cc(C(N)c3cc(Br)ccc3F)oc2c1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is LERAVBOSAOLUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-20-11-4-2-9-6-15(21-14(9)8-11)16(19)12-7-10(17)3-5-13(12)18/h2-8,16H,19H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine?
(5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 350.19 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 82958164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).