(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine

C16H13BrFNO — CID 82971197

IUPAC(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(Br)cc3F)cc2c1
InChIInChI=1S/C16H13BrFNO/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(17)8-13(12)18/h2-8,16H,19H2,1H3
InChIKeyQHWRKEQRVXUNGU-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.69
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine

(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 82971197) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID82971197
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(Br)cc3F)cc2c1
InChIInChI=1S/C16H13BrFNO/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(17)8-13(12)18/h2-8,16H,19H2,1H3
InChIKeyQHWRKEQRVXUNGU-UHFFFAOYSA-N
XLogP4.69
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3,4-difluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107538891
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
[(5-fluoro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methyl]hydrazine
CID 105338645
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114906435
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine (CID 82971197) is (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3ccc(Br)cc3F)cc2c1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is QHWRKEQRVXUNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c1-9-2-5-14-10(6-9)7-15(20-14)16(19)12-4-3-11(17)8-13(12)18/h2-8,16H,19H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine?
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 334.19 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 82971197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).