1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

C14H16FNO2 — CID 107661174

IUPAC1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1cccc(C)c1F
InChIInChI=1S/C14H16FNO2/c1-10-4-3-5-12(14(10)15)18-9-11-6-7-17-13(11)8-16-2/h3-7,16H,8-9H2,1-2H3
InChIKeyIADVHGWMYSGPIL-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.03
Rot. Bonds5

About 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 107661174) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID107661174
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COc1cccc(C)c1F
InChIInChI=1S/C14H16FNO2/c1-10-4-3-5-12(14(10)15)18-9-11-6-7-17-13(11)8-16-2/h3-7,16H,8-9H2,1-2H3
InChIKeyIADVHGWMYSGPIL-UHFFFAOYSA-N
XLogP3.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 107661326
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62449489
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
N-methyl-1-[3-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 63648415
2-[(2-fluoro-3-methylphenoxy)methyl]furan
CID 107661924
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
1-[2-[(2-fluoro-5-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 64853909
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62485941
3-[(2-fluoro-3-methylphenoxy)methyl]furan
CID 107661892

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (CID 107661174) is 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is CNCc1occc1COc1cccc(C)c1F.
What is the InChIKey of 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is IADVHGWMYSGPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10-4-3-5-12(14(10)15)18-9-11-6-7-17-13(11)8-16-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 249.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107661174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).