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

C16H20FNO — CID 115827769

IUPACN-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1c(C)oc(C)c1C
InChIInChI=1S/C16H20FNO/c1-5-18-16(13-8-6-7-9-14(13)17)15-10(2)11(3)19-12(15)4/h6-9,16,18H,5H2,1-4H3
InChIKeyKSVHUQJDKRUMAJ-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.04
Rot. Bonds4

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

N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (PubChem CID 115827769) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
PubChem CID115827769
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1c(C)oc(C)c1C
InChIInChI=1S/C16H20FNO/c1-5-18-16(13-8-6-7-9-14(13)17)15-10(2)11(3)19-12(15)4/h6-9,16,18H,5H2,1-4H3
InChIKeyKSVHUQJDKRUMAJ-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453401
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152876
N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827914
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490593
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(2,5-dibromo-4-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 81472787
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 115852570
N-[(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488263

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (CID 115827769) is N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is CCNC(c1ccccc1F)c1c(C)oc(C)c1C.
What is the InChIKey of N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is KSVHUQJDKRUMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-5-18-16(13-8-6-7-9-14(13)17)15-10(2)11(3)19-12(15)4/h6-9,16,18H,5H2,1-4H3.
What are the key properties of N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 115827769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).