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

C15H11ClFNO — CID 114732565

IUPAC[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C15H11ClFNO/c16-12-3-1-2-10-7-14(19-15(10)12)11-6-9(8-18)4-5-13(11)17/h1-7H,8,18H2
InChIKeyBRQJXDQNISVRCX-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.35
Rot. Bonds2

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

[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine (PubChem CID 114732565) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
PubChem CID114732565
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C15H11ClFNO/c16-12-3-1-2-10-7-14(19-15(10)12)11-6-9(8-18)4-5-13(11)17/h1-7H,8,18H2
InChIKeyBRQJXDQNISVRCX-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-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732546
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
CID 114732126
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
[4-(7-chloro-1-benzofuran-2-yl)thiophen-2-yl]methanamine
CID 114732018
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
CID 114732361
4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608
[2-(7-fluoro-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113748

Frequently Asked Questions

What is the IUPAC name of [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine (CID 114732565) is [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine is NCc1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine?
The InChIKey is BRQJXDQNISVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-12-3-1-2-10-7-14(19-15(10)12)11-6-9(8-18)4-5-13(11)17/h1-7H,8,18H2.
What are the key properties of [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine?
[3-(7-chloro-1-benzofuran-2-yl)-4-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 [3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 114732565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).