(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine

C12H11F2NO — CID 107513300

IUPAC(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccco2)c(F)c1F
InChIInChI=1S/C12H11F2NO/c1-7-4-5-8(11(14)10(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3
InChIKeyVVUXUXTXLQNPEI-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.91
Rot. Bonds2

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

(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine (PubChem CID 107513300) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
PubChem CID107513300
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccco2)c(F)c1F
InChIInChI=1S/C12H11F2NO/c1-7-4-5-8(11(14)10(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3
InChIKeyVVUXUXTXLQNPEI-UHFFFAOYSA-N
XLogP2.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
furan-2-yl-(2,4,5-trifluorophenyl)methanamine
CID 103301909
(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
CID 130495135
(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 107515381
(2,5-difluorophenyl)-(furan-2-yl)methanamine
CID 43415092
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine
CID 107096502
(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
CID 81109749
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine (CID 107513300) is (2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine is Cc1ccc(C(N)c2ccco2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine?
The InChIKey is VVUXUXTXLQNPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-7-4-5-8(11(14)10(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine?
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine has a molecular weight of 223.22 g/mol, XLogP of 2.91, 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)-(furan-2-yl)methanamine is sourced from PubChem (CID 107513300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).