2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline

C15H12ClNO — CID 114731877

IUPAC2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C15H12ClNO/c1-9-2-4-13(17)12(6-9)15-8-10-7-11(16)3-5-14(10)18-15/h2-8H,17H2,1H3
InChIKeyBPAKWPIFCPEHTA-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.64
Rot. Bonds1

About 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline

2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline (PubChem CID 114731877) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
PubChem CID114731877
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C15H12ClNO/c1-9-2-4-13(17)12(6-9)15-8-10-7-11(16)3-5-14(10)18-15/h2-8H,17H2,1H3
InChIKeyBPAKWPIFCPEHTA-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

3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
CID 107626948
5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
CID 114733092
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732367
2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline
CID 114731830
[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
4-methyl-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197887
6-(5-chloro-1-benzofuran-2-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114734742

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline?
The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline (CID 114731877) is 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline?
The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline is Cc1ccc(N)c(-c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline?
The InChIKey is BPAKWPIFCPEHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-9-2-4-13(17)12(6-9)15-8-10-7-11(16)3-5-14(10)18-15/h2-8H,17H2,1H3.
What are the key properties of 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline?
2-(5-chloro-1-benzofuran-2-yl)-4-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 2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline is sourced from PubChem (CID 114731877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).