1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine

C16H12Cl2FNO — CID 114728551

IUPAC1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Cl)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H12Cl2FNO/c1-20-16(9-2-4-13(19)12(18)7-9)15-8-10-6-11(17)3-5-14(10)21-15/h2-8,16,20H,1H3
InChIKeyAOIMGHSBZXGGPJ-UHFFFAOYSA-N
MW324.18 g/mol
LogP5.19
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine

1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine (PubChem CID 114728551) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
PubChem CID114728551
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Cl)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H12Cl2FNO/c1-20-16(9-2-4-13(19)12(18)7-9)15-8-10-6-11(17)3-5-14(10)21-15/h2-8,16,20H,1H3
InChIKeyAOIMGHSBZXGGPJ-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

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
1-(5-chloro-1-benzofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 114727543
1-(5-chloro-1-benzofuran-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105045789
1-(5-chloro-1-benzofuran-2-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114728517
1-(5-chloro-1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114728510
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105338541
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114906435
1-(5-bromofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 82874924
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105045730
1-(2-bromo-5-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045763
1-(3-bromo-2-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107953734
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine (CID 114728551) is 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)c(Cl)c1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine?
The InChIKey is AOIMGHSBZXGGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c1-20-16(9-2-4-13(19)12(18)7-9)15-8-10-6-11(17)3-5-14(10)21-15/h2-8,16,20H,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine?
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-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-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114728551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).