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

C15H11ClFNO — CID 114732361

IUPAC[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(-c2cc3cc(Cl)ccc3o2)c(F)c1
InChIInChI=1S/C15H11ClFNO/c16-11-2-4-14-10(6-11)7-15(19-14)12-3-1-9(8-18)5-13(12)17/h1-7H,8,18H2
InChIKeyQKXNMFWTPZIVFN-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.35
Rot. Bonds2

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

[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine (PubChem CID 114732361) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
PubChem CID114732361
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(-c2cc3cc(Cl)ccc3o2)c(F)c1
InChIInChI=1S/C15H11ClFNO/c16-11-2-4-14-10(6-11)7-15(19-14)12-3-1-9(8-18)5-13(12)17/h1-7H,8,18H2
InChIKeyQKXNMFWTPZIVFN-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

1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732367
N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732421
[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
CID 114275253
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
CID 107626948
2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran
CID 58415348
6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734697

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine (CID 114732361) is [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine is NCc1ccc(-c2cc3cc(Cl)ccc3o2)c(F)c1.
What is the InChIKey of [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine?
The InChIKey is QKXNMFWTPZIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-11-2-4-14-10(6-11)7-15(19-14)12-3-1-9(8-18)5-13(12)17/h1-7H,8,18H2.
What are the key properties of [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine?
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]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 [4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 114732361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).