3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline

C15H12ClNO — CID 107626948

IUPAC3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
SMILESCc1c(N)cccc1-c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H12ClNO/c1-9-12(3-2-4-13(9)17)15-8-10-7-11(16)5-6-14(10)18-15/h2-8H,17H2,1H3
InChIKeyWRHRIZGJIIYCPU-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.64
Rot. Bonds1

About 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline

3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline (PubChem CID 107626948) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
PubChem CID107626948
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
SMILESCc1c(N)cccc1-c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H12ClNO/c1-9-12(3-2-4-13(9)17)15-8-10-7-11(16)5-6-14(10)18-15/h2-8H,17H2,1H3
InChIKeyWRHRIZGJIIYCPU-UHFFFAOYSA-N
XLogP4.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 81433215
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
6-(5-chloro-1-benzofuran-2-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114734742
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
2-(3-bromophenyl)-5-chloro-1-benzofuran
CID 91689952
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946902
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
CID 114732361
6-(5-chloro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734697
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
CID 114734206
5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
CID 114733092

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline (CID 107626948) is 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline is Cc1c(N)cccc1-c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline?
The InChIKey is WRHRIZGJIIYCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-9-12(3-2-4-13(9)17)15-8-10-7-11(16)5-6-14(10)18-15/h2-8H,17H2,1H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline?
3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline has a molecular weight of 257.72 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline is sourced from PubChem (CID 107626948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).