1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine

C16H12Cl2FNO — CID 105048406

IUPAC1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1cccc(F)c1Cl
InChIInChI=1S/C16H12Cl2FNO/c1-20-15(10-5-3-7-12(19)14(10)18)13-8-9-4-2-6-11(17)16(9)21-13/h2-8,15,20H,1H3
InChIKeyONWWZUXPPZIINN-UHFFFAOYSA-N
MW324.18 g/mol
LogP5.19
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine

1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine (PubChem CID 105048406) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
PubChem CID105048406
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1cccc(F)c1Cl
InChIInChI=1S/C16H12Cl2FNO/c1-20-15(10-5-3-7-12(19)14(10)18)13-8-9-4-2-6-11(17)16(9)21-13/h2-8,15,20H,1H3
InChIKeyONWWZUXPPZIINN-UHFFFAOYSA-N
XLogP5.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.18
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-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-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954
[(3-bromo-2-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339723
1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 103444169
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 106858731
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
[(7-chloro-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105256705

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine (CID 105048406) is 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine is CNC(c1cc2cccc(Cl)c2o1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine?
The InChIKey is ONWWZUXPPZIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c1-20-15(10-5-3-7-12(19)14(10)18)13-8-9-4-2-6-11(17)16(9)21-13/h2-8,15,20H,1H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine?
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine has a molecular weight of 324.18 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105048406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).