N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine

C18H18FNO — CID 114727898

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H18FNO/c1-3-20-18(13-6-4-5-12(2)9-13)17-11-14-10-15(19)7-8-16(14)21-17/h4-11,18,20H,3H2,1-2H3
InChIKeyVOYLCIRMRFHWFI-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.58
Rot. Bonds4

About N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine

N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 114727898) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
PubChem CID114727898
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H18FNO/c1-3-20-18(13-6-4-5-12(2)9-13)17-11-14-10-15(19)7-8-16(14)21-17/h4-11,18,20H,3H2,1-2H3
InChIKeyVOYLCIRMRFHWFI-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
1-(3-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114727544
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338687
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105046083
N-[(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114728748
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 114730477
N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine (CID 114727898) is N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is VOYLCIRMRFHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-3-20-18(13-6-4-5-12(2)9-13)17-11-14-10-15(19)7-8-16(14)21-17/h4-11,18,20H,3H2,1-2H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine?
N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 283.35 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 114727898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).