1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine

C16H13ClFNO — CID 114732367

IUPAC1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H13ClFNO/c1-19-9-10-2-4-14(18)13(6-10)16-8-11-7-12(17)3-5-15(11)20-16/h2-8,19H,9H2,1H3
InChIKeyCUTFDFUBCCMIBB-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.61
Rot. Bonds3

About 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine

1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 114732367) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID114732367
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H13ClFNO/c1-19-9-10-2-4-14(18)13(6-10)16-8-11-7-12(17)3-5-15(11)20-16/h2-8,19H,9H2,1H3
InChIKeyCUTFDFUBCCMIBB-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

1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732546
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
CID 114732361
N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
CID 114732131
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732421
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357625
1-(4-fluoro-3-naphthalen-2-ylphenyl)-N-methylmethanamine
CID 61032587
3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114735605
1-(4-fluoro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 63887333
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
CID 107626948

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine (CID 114732367) is 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is CUTFDFUBCCMIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-19-9-10-2-4-14(18)13(6-10)16-8-11-7-12(17)3-5-15(11)20-16/h2-8,19H,9H2,1H3.
What are the key properties of 1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(5-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-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114732367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).