(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine

C12H11BrFNO — CID 79747168

IUPAC(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrFNO/c1-7-9(4-5-16-7)12(15)8-2-3-11(14)10(13)6-8/h2-6,12H,15H2,1H3
InChIKeyAWYWWRZOURSECT-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.54
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine

(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine (PubChem CID 79747168) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
PubChem CID79747168
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H11BrFNO/c1-7-9(4-5-16-7)12(15)8-2-3-11(14)10(13)6-8/h2-6,12H,15H2,1H3
InChIKeyAWYWWRZOURSECT-UHFFFAOYSA-N
XLogP3.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
CID 107289329
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
CID 43384340
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
(2-methylfuran-3-yl)-(4-phenylphenyl)methanamine
CID 43464106
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine (CID 79747168) is (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is AWYWWRZOURSECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-7-9(4-5-16-7)12(15)8-2-3-11(14)10(13)6-8/h2-6,12H,15H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine?
(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine has a molecular weight of 284.13 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 79747168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).