N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine

C15H18FNO — CID 107129150

IUPACN-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1ccoc1C
InChIInChI=1S/C15H18FNO/c1-4-17-15(13-7-8-18-11(13)3)12-6-5-10(2)14(16)9-12/h5-9,15,17H,4H2,1-3H3
InChIKeyDMQWCSPVGFHOBH-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.73
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine

N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine (PubChem CID 107129150) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
PubChem CID107129150
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1ccoc1C
InChIInChI=1S/C15H18FNO/c1-4-17-15(13-7-8-18-11(13)3)12-6-5-10(2)14(16)9-12/h5-9,15,17H,4H2,1-3H3
InChIKeyDMQWCSPVGFHOBH-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-[(2,6-difluoro-3-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790100
N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453376
N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130022
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453401
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790226
[(3,4-difluorophenyl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269045
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine (CID 107129150) is N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine is CCNC(c1ccc(C)c(F)c1)c1ccoc1C.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is DMQWCSPVGFHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-4-17-15(13-7-8-18-11(13)3)12-6-5-10(2)14(16)9-12/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
N-[(3-fluoro-4-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-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 107129150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).