(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine

C14H16FNO — CID 81477083

IUPAC(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(C)c2F)c(C)o1
InChIInChI=1S/C14H16FNO/c1-8-5-4-6-11(13(8)15)14(16)12-7-9(2)17-10(12)3/h4-7,14H,16H2,1-3H3
InChIKeyUZDBXFIBQGZTBP-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.39
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine

(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 81477083) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
PubChem CID81477083
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(C)c2F)c(C)o1
InChIInChI=1S/C14H16FNO/c1-8-5-4-6-11(13(8)15)14(16)12-7-9(2)17-10(12)3/h4-7,14H,16H2,1-3H3
InChIKeyUZDBXFIBQGZTBP-UHFFFAOYSA-N
XLogP3.39
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(2,5-dimethylfuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43464205
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
[(2,5-dimethylfuran-3-yl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105300529
(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
CID 115855456
(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477237
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine (CID 81477083) is (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine is Cc1cc(C(N)c2cccc(C)c2F)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is UZDBXFIBQGZTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-8-5-4-6-11(13(8)15)14(16)12-7-9(2)17-10(12)3/h4-7,14H,16H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine?
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine has a molecular weight of 233.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 81477083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).