(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine

C14H16FNO — CID 114248943

IUPAC(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(C)c(C)o2)ccc1F
InChIInChI=1S/C14H16FNO/c1-8-7-13(17-10(8)3)14(16)11-4-5-12(15)9(2)6-11/h4-7,14H,16H2,1-3H3
InChIKeyAMFISOQPECCXKO-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.39
Rot. Bonds2

About (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine

(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 114248943) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
PubChem CID114248943
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(C)c(C)o2)ccc1F
InChIInChI=1S/C14H16FNO/c1-8-7-13(17-10(8)3)14(16)11-4-5-12(15)9(2)6-11/h4-7,14H,16H2,1-3H3
InChIKeyAMFISOQPECCXKO-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

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Related Compounds

(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950
(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
CID 130495135
(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine
CID 63989151
(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
CID 130668303
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine (CID 114248943) is (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(C(N)c2cc(C)c(C)o2)ccc1F.
What is the InChIKey of (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is AMFISOQPECCXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-8-7-13(17-10(8)3)14(16)11-4-5-12(15)9(2)6-11/h4-7,14H,16H2,1-3H3.
What are the key properties of (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
(4,5-dimethylfuran-2-yl)-(4-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 (4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 114248943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).