(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

C15H17F2NO — CID 107515381

IUPAC(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1ccc(C(N)c2c(C)oc(C)c2C)c(F)c1F
InChIInChI=1S/C15H17F2NO/c1-7-5-6-11(14(17)13(7)16)15(18)12-8(2)9(3)19-10(12)4/h5-6,15H,18H2,1-4H3
InChIKeyCUAYFJMWJIQNIU-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.84
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 107515381) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID107515381
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1ccc(C(N)c2c(C)oc(C)c2C)c(F)c1F
InChIInChI=1S/C15H17F2NO/c1-7-5-6-11(14(17)13(7)16)15(18)12-8(2)9(3)19-10(12)4/h5-6,15H,18H2,1-4H3
InChIKeyCUAYFJMWJIQNIU-UHFFFAOYSA-N
XLogP3.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115855177
(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990456
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(4-chloronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 79591905
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115796955
(2,4,5-trimethylfuran-3-yl)-(2,4,6-trimethylphenyl)methanamine
CID 65151840
phenyl-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151589
(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151889
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(2,3-difluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
CID 107513751
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (CID 107515381) is (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is Cc1ccc(C(N)c2c(C)oc(C)c2C)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is CUAYFJMWJIQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-7-5-6-11(14(17)13(7)16)15(18)12-8(2)9(3)19-10(12)4/h5-6,15H,18H2,1-4H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 265.30 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 107515381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).