N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine

C14H16FNO — CID 115828096

IUPACN-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccccc1F
InChIInChI=1S/C14H16FNO/c1-3-16-14(11-8-10(2)17-9-11)12-6-4-5-7-13(12)15/h4-9,14,16H,3H2,1-2H3
InChIKeyJFZMHGOTFCTIMH-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.43
Rot. Bonds4

About N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine

N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 115828096) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID115828096
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccccc1F
InChIInChI=1S/C14H16FNO/c1-3-16-14(11-8-10(2)17-9-11)12-6-4-5-7-13(12)15/h4-9,14,16H,3H2,1-2H3
InChIKeyJFZMHGOTFCTIMH-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018314
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105052333
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 115827769
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488263
N-[(2,5-dibromo-4-methylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820382

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine (CID 115828096) is N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine is CCNC(c1coc(C)c1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is JFZMHGOTFCTIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-3-16-14(11-8-10(2)17-9-11)12-6-4-5-7-13(12)15/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 115828096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).