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

C15H11ClFNO — CID 123356404

IUPAC[7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1cc2cccc(-c3ccc(F)c(Cl)c3)c2o1
InChIInChI=1S/C15H11ClFNO/c16-13-7-9(4-5-14(13)17)12-3-1-2-10-6-11(8-18)19-15(10)12/h1-7H,8,18H2
InChIKeyHWEBTYZYCLRBOX-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.35
Rot. Bonds2

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

[7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine (PubChem CID 123356404) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine
PubChem CID123356404
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name[7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1cc2cccc(-c3ccc(F)c(Cl)c3)c2o1
InChIInChI=1S/C15H11ClFNO/c16-13-7-9(4-5-14(13)17)12-3-1-2-10-6-11(8-18)19-15(10)12/h1-7H,8,18H2
InChIKeyHWEBTYZYCLRBOX-UHFFFAOYSA-N
XLogP4.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
(7-bromo-1-benzofuran-2-yl)methanamine
CID 61389824
[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
4-chloro-2-(3-chloro-4-fluorophenyl)aniline
CID 115504348
2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol
CID 154291643
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562
4-(3-chloro-4-fluorophenyl)-7-(2,3-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine
CID 118870970
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
4-benzyl-2-(3-chloro-4-fluorophenyl)aniline
CID 19381138
1-[7-[3-(aminomethyl)phenyl]-1-benzofuran-2-yl]ethanol
CID 160723042
2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
CID 68867415

Frequently Asked Questions

What is the IUPAC name of [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine (CID 123356404) is [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine is NCc1cc2cccc(-c3ccc(F)c(Cl)c3)c2o1.
What is the InChIKey of [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is HWEBTYZYCLRBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-13-7-9(4-5-14(13)17)12-3-1-2-10-6-11(8-18)19-15(10)12/h1-7H,8,18H2.
What are the key properties of [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine?
[7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 275.71 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 123356404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).