(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine

C12H11BrFNO — CID 106857495

IUPAC(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ccoc1Br
InChIInChI=1S/C12H11BrFNO/c1-7-6-8(14)2-3-9(7)11(15)10-4-5-16-12(10)13/h2-6,11H,15H2,1H3
InChIKeyYOVCNCMXSIWLMY-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.54
Rot. Bonds2

About (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine

(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 106857495) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID106857495
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ccoc1Br
InChIInChI=1S/C12H11BrFNO/c1-7-6-8(14)2-3-9(7)11(15)10-4-5-16-12(10)13/h2-6,11H,15H2,1H3
InChIKeyYOVCNCMXSIWLMY-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

(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 106859200
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 106851898
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
CID 106855486

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine (CID 106857495) is (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is YOVCNCMXSIWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-7-6-8(14)2-3-9(7)11(15)10-4-5-16-12(10)13/h2-6,11H,15H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine?
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)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 (2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 106857495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).