1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine

C17H16ClNO — CID 107103108

IUPAC1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1cccc(Cl)c1C
InChIInChI=1S/C17H16ClNO/c1-11-13(7-5-8-14(11)18)17(19-2)16-10-12-6-3-4-9-15(12)20-16/h3-10,17,19H,1-2H3
InChIKeyWHLZMQPNGSLLCK-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.70
Rot. Bonds3

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

1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine (PubChem CID 107103108) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
PubChem CID107103108
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1cccc(Cl)c1C
InChIInChI=1S/C17H16ClNO/c1-11-13(7-5-8-14(11)18)17(19-2)16-10-12-6-3-4-9-15(12)20-16/h3-10,17,19H,1-2H3
InChIKeyWHLZMQPNGSLLCK-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
CID 107103499
1-(1-benzofuran-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105044001
[1-benzofuran-2-yl-(2,3-dimethylphenyl)methyl]hydrazine
CID 105218327
1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 106645563
[(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103839
1-(1-benzofuran-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63089905
1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107096586
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045109
1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 63089727
1-(2,3-dimethylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045995
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine (CID 107103108) is 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine is CNC(c1cc2ccccc2o1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is WHLZMQPNGSLLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-13(7-5-8-14(11)18)17(19-2)16-10-12-6-3-4-9-15(12)20-16/h3-10,17,19H,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine?
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 285.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107103108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).