(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine

C14H15F2NO2 — CID 54880487

IUPAC(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(C)oc2C)c(F)c1
InChIInChI=1S/C14H15F2NO2/c1-7-4-10(8(2)19-7)14(17)13-11(15)5-9(18-3)6-12(13)16/h4-6,14H,17H2,1-3H3
InChIKeyPHFOOBVRGNCFGX-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.23
Rot. Bonds3

About (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine

(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 54880487) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID54880487
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCOc1cc(F)c(C(N)c2cc(C)oc2C)c(F)c1
InChIInChI=1S/C14H15F2NO2/c1-7-4-10(8(2)19-7)14(17)13-11(15)5-9(18-3)6-12(13)16/h4-6,14H,17H2,1-3H3
InChIKeyPHFOOBVRGNCFGX-UHFFFAOYSA-N
XLogP3.23
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
(2,5-dimethylfuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43464205
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880486
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477083
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine (CID 54880487) is (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine is COc1cc(F)c(C(N)c2cc(C)oc2C)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is PHFOOBVRGNCFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-7-4-10(8(2)19-7)14(17)13-11(15)5-9(18-3)6-12(13)16/h4-6,14H,17H2,1-3H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 267.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 54880487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).