1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

C14H16FNO2 — CID 43487598

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1ccc(C)o1
InChIInChI=1S/C14H16FNO2/c1-9-4-6-13(18-9)14(16-2)10-5-7-12(17-3)11(15)8-10/h4-8,14,16H,1-3H3
InChIKeyJTJKDPJSKGYLJM-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.04
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 43487598) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID43487598
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1ccc(C)o1
InChIInChI=1S/C14H16FNO2/c1-9-4-6-13(18-9)14(16-2)10-5-7-12(17-3)11(15)8-10/h4-8,14,16H,1-3H3
InChIKeyJTJKDPJSKGYLJM-UHFFFAOYSA-N
XLogP3.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487689
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693835
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105144593
[(5-chlorofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106694382
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 43487598) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is CNC(c1ccc(OC)c(F)c1)c1ccc(C)o1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is JTJKDPJSKGYLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-4-6-13(18-9)14(16-2)10-5-7-12(17-3)11(15)8-10/h4-8,14,16H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 249.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 43487598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).