2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C16H20FNO — CID 65153051

IUPAC2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)c1c(C)oc(C)c1C
InChIInChI=1S/C16H20FNO/c1-10-11(2)19-12(3)16(10)15(18-4)9-13-5-7-14(17)8-6-13/h5-8,15,18H,9H2,1-4H3
InChIKeyCTASPYCDGRTILD-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.85
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine

2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 65153051) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID65153051
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1)c1c(C)oc(C)c1C
InChIInChI=1S/C16H20FNO/c1-10-11(2)19-12(3)16(10)15(18-4)9-13-5-7-14(17)8-6-13/h5-8,15,18H,9H2,1-4H3
InChIKeyCTASPYCDGRTILD-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115840518
[2-phenyl-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105283083
2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105412346
[2-(4-chloro-3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 107895489
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 114982292
2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152951
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 62079036
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43484353
2-(4-fluorophenyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 61065371
N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030866

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 65153051) is 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine is CNC(Cc1ccc(F)cc1)c1c(C)oc(C)c1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is CTASPYCDGRTILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10-11(2)19-12(3)16(10)15(18-4)9-13-5-7-14(17)8-6-13/h5-8,15,18H,9H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 65153051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).