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

C15H18FNO — CID 113453376

IUPACN-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1C)c1ccoc1C
InChIInChI=1S/C15H18FNO/c1-4-17-15(13-7-8-18-11(13)3)14-9-12(16)6-5-10(14)2/h5-9,15,17H,4H2,1-3H3
InChIKeyOEFRQUWFPPDKNB-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.73
Rot. Bonds4

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

N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine (PubChem CID 113453376) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
PubChem CID113453376
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1C)c1ccoc1C
InChIInChI=1S/C15H18FNO/c1-4-17-15(13-7-8-18-11(13)3)14-9-12(16)6-5-10(14)2/h5-9,15,17H,4H2,1-3H3
InChIKeyOEFRQUWFPPDKNB-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[(2,6-difluoro-3-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790100
N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102755153
N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453401
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142484

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine (CID 113453376) is N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1C)c1ccoc1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is OEFRQUWFPPDKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-4-17-15(13-7-8-18-11(13)3)14-9-12(16)6-5-10(14)2/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 247.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 113453376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).