1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

C17H18FNO — CID 107129103

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)C1COc2ccccc21
InChIInChI=1S/C17H18FNO/c1-11-7-8-12(9-15(11)18)17(19-2)14-10-20-16-6-4-3-5-13(14)16/h3-9,14,17,19H,10H2,1-2H3
InChIKeyKICBDTQIOCIGII-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.57
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107129103) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID107129103
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)C1COc2ccccc21
InChIInChI=1S/C17H18FNO/c1-11-7-8-12(9-15(11)18)17(19-2)14-10-20-16-6-4-3-5-13(14)16/h3-9,14,17,19H,10H2,1-2H3
InChIKeyKICBDTQIOCIGII-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81156280
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538
2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine
CID 107885094
1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 82822455
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
[2,3-dihydro-1-benzofuran-3-yl-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105262807
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830
2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128510
N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81163668
[2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262757
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 107129103) is 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1)C1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is KICBDTQIOCIGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-7-8-12(9-15(11)18)17(19-2)14-10-20-16-6-4-3-5-13(14)16/h3-9,14,17,19H,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107129103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).