(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine

C13H13BrFNO — CID 62345677

IUPAC(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(F)cc2Br)o1
InChIInChI=1S/C13H13BrFNO/c1-2-9-4-6-12(17-9)13(16)10-5-3-8(15)7-11(10)14/h3-7,13H,2,16H2,1H3
InChIKeyVHWMRZQNKSJZFT-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.79
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine

(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 62345677) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
PubChem CID62345677
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(F)cc2Br)o1
InChIInChI=1S/C13H13BrFNO/c1-2-9-4-6-12(17-9)13(16)10-5-3-8(15)7-11(10)14/h3-7,13H,2,16H2,1H3
InChIKeyVHWMRZQNKSJZFT-UHFFFAOYSA-N
XLogP3.79
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62344613
(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine
CID 115482082
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 82783479
(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 107979824
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758778
(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 81472297
(4-bromo-3-chlorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 81290852
(5-bromofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 43464215
(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095609
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine (CID 62345677) is (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine is CCc1ccc(C(N)c2ccc(F)cc2Br)o1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is VHWMRZQNKSJZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-2-9-4-6-12(17-9)13(16)10-5-3-8(15)7-11(10)14/h3-7,13H,2,16H2,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine?
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 298.16 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 62345677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).