1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

C16H15F2NO — CID 62649347

IUPAC1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1cccc(F)c1F
InChIInChI=1S/C16H15F2NO/c1-19-16(12-3-2-4-13(17)15(12)18)11-5-6-14-10(9-11)7-8-20-14/h2-6,9,16,19H,7-8H2,1H3
InChIKeyDWAJWNGBSHPETP-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.21
Rot. Bonds3

About 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 62649347) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
PubChem CID62649347
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1cccc(F)c1F
InChIInChI=1S/C16H15F2NO/c1-19-16(12-3-2-4-13(17)15(12)18)11-5-6-14-10(9-11)7-8-20-14/h2-6,9,16,19H,7-8H2,1H3
InChIKeyDWAJWNGBSHPETP-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105333920
1-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482575
1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 106944658
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(2,5-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200884
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 104542536
1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200882
5-[bromo-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81477363
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
[(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105280541

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (CID 62649347) is 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCO2)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is DWAJWNGBSHPETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-19-16(12-3-2-4-13(17)15(12)18)11-5-6-14-10(9-11)7-8-20-14/h2-6,9,16,19H,7-8H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 275.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 62649347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).