1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C15H14ClNO2 — CID 114730954

IUPAC1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1ccoc1C
InChIInChI=1S/C15H14ClNO2/c1-9-11(6-7-18-9)14(17-2)13-8-10-4-3-5-12(16)15(10)19-13/h3-8,14,17H,1-2H3
InChIKeyGOIPEXWGXIOPPA-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.30
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 114730954) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID114730954
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1ccoc1C
InChIInChI=1S/C15H14ClNO2/c1-9-11(6-7-18-9)14(17-2)13-8-10-4-3-5-12(16)15(10)19-13/h3-8,14,17H,1-2H3
InChIKeyGOIPEXWGXIOPPA-UHFFFAOYSA-N
XLogP4.30
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
[(7-methyl-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105268934
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048574
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
CID 114730952
[(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103839
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 114730954) is 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CNC(c1cc2cccc(Cl)c2o1)c1ccoc1C.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is GOIPEXWGXIOPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-11(6-7-18-9)14(17-2)13-8-10-4-3-5-12(16)15(10)19-13/h3-8,14,17H,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 275.74 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114730954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).