(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

C16H13BrFNO — CID 105045635

IUPAC(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3cc(F)ccc3Br)oc12
InChIInChI=1S/C16H13BrFNO/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)12-8-11(18)5-6-13(12)17/h2-8,15H,19H2,1H3
InChIKeyAUTPMGBYGOYMCJ-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.69
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105045635) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105045635
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)c3cc(F)ccc3Br)oc12
InChIInChI=1S/C16H13BrFNO/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)12-8-11(18)5-6-13(12)17/h2-8,15H,19H2,1H3
InChIKeyAUTPMGBYGOYMCJ-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

(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727209
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 105045635) is (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1cccc2cc(C(N)c3cc(F)ccc3Br)oc12.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is AUTPMGBYGOYMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)12-8-11(18)5-6-13(12)17/h2-8,15H,19H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(2-bromo-5-fluorophenyl)-(7-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 (2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105045635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).