1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine

C17H16ClNO2 — CID 114727492

IUPAC1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H16ClNO2/c1-19-16(11-6-8-13(20-2)9-7-11)15-10-12-4-3-5-14(18)17(12)21-15/h3-10,16,19H,1-2H3
InChIKeyQVEXULJIQIJEBI-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.40
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine

1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 114727492) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID114727492
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H16ClNO2/c1-19-16(11-6-8-13(20-2)9-7-11)15-10-12-4-3-5-14(18)17(12)21-15/h3-10,16,19H,1-2H3
InChIKeyQVEXULJIQIJEBI-UHFFFAOYSA-N
XLogP4.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
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
1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
[(7-fluoro-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190989
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114729070

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine (CID 114727492) is 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is QVEXULJIQIJEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-19-16(11-6-8-13(20-2)9-7-11)15-10-12-4-3-5-14(18)17(12)21-15/h3-10,16,19H,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine?
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 301.77 g/mol, XLogP of 4.40, 4 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)-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 114727492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).