2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine

C14H16FNO — CID 105373840

IUPAC2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1ccco1
InChIInChI=1S/C14H16FNO/c1-10-5-6-12(15)8-11(10)9-13(16-2)14-4-3-7-17-14/h3-8,13,16H,9H2,1-2H3
InChIKeyITIYLOLQURLMDT-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.23
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine

2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine (PubChem CID 105373840) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine
PubChem CID105373840
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1ccco1
InChIInChI=1S/C14H16FNO/c1-10-5-6-12(15)8-11(10)9-13(16-2)14-4-3-7-17-14/h3-8,13,16H,9H2,1-2H3
InChIKeyITIYLOLQURLMDT-UHFFFAOYSA-N
XLogP3.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 112653682
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 105373632
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373685
1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 107985511
N-[2-(2-chloro-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 102618825
2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine (CID 105373840) is 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine is CNC(Cc1cc(F)ccc1C)c1ccco1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine?
The InChIKey is ITIYLOLQURLMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-10-5-6-12(15)8-11(10)9-13(16-2)14-4-3-7-17-14/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine?
2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine has a molecular weight of 233.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine is sourced from PubChem (CID 105373840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).