(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine

C14H16FNO — CID 106881970

IUPAC(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1cc(C)c(C(N)c2ccoc2C)c(F)c1
InChIInChI=1S/C14H16FNO/c1-8-6-9(2)13(12(15)7-8)14(16)11-4-5-17-10(11)3/h4-7,14H,16H2,1-3H3
InChIKeyZUXRRMNMPSUURB-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.39
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine

(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine (PubChem CID 106881970) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
PubChem CID106881970
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1cc(C)c(C(N)c2ccoc2C)c(F)c1
InChIInChI=1S/C14H16FNO/c1-8-6-9(2)13(12(15)7-8)14(16)11-4-5-17-10(11)3/h4-7,14H,16H2,1-3H3
InChIKeyZUXRRMNMPSUURB-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

[(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 106884428
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 43484197
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 79747168
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
CID 107289329

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine (CID 106881970) is (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine is Cc1cc(C)c(C(N)c2ccoc2C)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is ZUXRRMNMPSUURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-8-6-9(2)13(12(15)7-8)14(16)11-4-5-17-10(11)3/h4-7,14H,16H2,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine?
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)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-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 106881970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).