1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

C16H14BrF2NO — CID 106944658

IUPAC1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1c(F)ccc(Br)c1F
InChIInChI=1S/C16H14BrF2NO/c1-20-16(14-12(18)4-3-11(17)15(14)19)10-2-5-13-9(8-10)6-7-21-13/h2-5,8,16,20H,6-7H2,1H3
InChIKeyVTFOWQKAYNFJNL-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.97
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 106944658) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
PubChem CID106944658
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1c(F)ccc(Br)c1F
InChIInChI=1S/C16H14BrF2NO/c1-20-16(14-12(18)4-3-11(17)15(14)19)10-2-5-13-9(8-10)6-7-21-13/h2-5,8,16,20H,6-7H2,1H3
InChIKeyVTFOWQKAYNFJNL-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482575
1-(2,5-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200884
1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62649347
[(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105280541
1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(3,5-dibromo-2-pyridinyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 104542845
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 61027481

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (CID 106944658) is 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCO2)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is VTFOWQKAYNFJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-20-16(14-12(18)4-3-11(17)15(14)19)10-2-5-13-9(8-10)6-7-21-13/h2-5,8,16,20H,6-7H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 354.19 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 106944658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).