(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

C14H14F3NO — CID 115855177

IUPAC(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1oc(C)c(C(N)c2ccc(F)c(F)c2F)c1C
InChIInChI=1S/C14H14F3NO/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)13(17)12(9)16/h4-5,14H,18H2,1-3H3
InChIKeyFHELIJZRVQJSPF-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.67
Rot. Bonds2

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

(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 115855177) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID115855177
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1oc(C)c(C(N)c2ccc(F)c(F)c2F)c1C
InChIInChI=1S/C14H14F3NO/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)13(17)12(9)16/h4-5,14H,18H2,1-3H3
InChIKeyFHELIJZRVQJSPF-UHFFFAOYSA-N
XLogP3.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 107515381
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115796955
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990456
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855266
(4-chloronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 79591905
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855292
(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153464
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (CID 115855177) is (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is Cc1oc(C)c(C(N)c2ccc(F)c(F)c2F)c1C.
What is the InChIKey of (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is FHELIJZRVQJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)13(17)12(9)16/h4-5,14H,18H2,1-3H3.
What are the key properties of (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 269.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 115855177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).