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

C16H13ClFNO — CID 114727533

IUPAC1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H13ClFNO/c1-19-15(10-5-7-12(18)8-6-10)14-9-11-3-2-4-13(17)16(11)20-14/h2-9,15,19H,1H3
InChIKeyIDTFOWHNGNDPNU-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.53
Rot. Bonds3

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

1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 114727533) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID114727533
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H13ClFNO/c1-19-15(10-5-7-12(18)8-6-10)14-9-11-3-2-4-13(17)16(11)20-14/h2-9,15,19H,1H3
InChIKeyIDTFOWHNGNDPNU-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
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-pyrimidin-5-ylmethanamine
CID 102923909
1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048574
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
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
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
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114729070
1-(4-iodophenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045524
1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 103444169

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 114727533) is 1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is IDTFOWHNGNDPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-19-15(10-5-7-12(18)8-6-10)14-9-11-3-2-4-13(17)16(11)20-14/h2-9,15,19H,1H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 289.74 g/mol, XLogP of 4.53, 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-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114727533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).