1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine

C16H13ClFNO — CID 114732546

IUPAC1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H13ClFNO/c1-19-9-10-5-6-14(18)12(7-10)15-8-11-3-2-4-13(17)16(11)20-15/h2-8,19H,9H2,1H3
InChIKeyMLKWJYMMRKSNQC-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.61
Rot. Bonds3

About 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine

1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 114732546) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID114732546
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H13ClFNO/c1-19-9-10-5-6-14(18)12(7-10)15-8-11-3-2-4-13(17)16(11)20-15/h2-8,19H,9H2,1H3
InChIKeyMLKWJYMMRKSNQC-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732026
1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732367
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
CID 114732126
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
1-(4-fluoro-3-naphthalen-2-ylphenyl)-N-methylmethanamine
CID 61032587
N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]ethanamine
CID 106888210
1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888206

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine (CID 114732546) is 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is MLKWJYMMRKSNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-19-9-10-5-6-14(18)12(7-10)15-8-11-3-2-4-13(17)16(11)20-15/h2-8,19H,9H2,1H3.
What are the key properties of 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 289.74 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114732546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).