N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine

C18H18FNO — CID 63091851

IUPACN-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1ccc(F)cc1C
InChIInChI=1S/C18H18FNO/c1-3-20-18(15-9-8-14(19)10-12(15)2)17-11-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3
InChIKeyIJKYOEVTBUXOBY-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.58
Rot. Bonds4

About N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine

N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 63091851) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID63091851
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1ccc(F)cc1C
InChIInChI=1S/C18H18FNO/c1-3-20-18(15-9-8-14(19)10-12(15)2)17-11-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3
InChIKeyIJKYOEVTBUXOBY-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

N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-[1-benzofuran-2-yl-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 114906570
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[1-benzofuran-2-yl-(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114729461
N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
CID 105043926
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81269079
N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852479
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
CID 105044103
N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62790553
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine (CID 63091851) is N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)c1ccc(F)cc1C.
What is the InChIKey of N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is IJKYOEVTBUXOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-3-20-18(15-9-8-14(19)10-12(15)2)17-11-13-6-4-5-7-16(13)21-17/h4-11,18,20H,3H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(4-fluoro-2-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-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 63091851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).