5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline

C15H12ClNO2 — CID 114731889

IUPAC5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2cc3cc(Cl)ccc3o2)cc1N
InChIInChI=1S/C15H12ClNO2/c1-18-14-4-2-9(7-12(14)17)15-8-10-6-11(16)3-5-13(10)19-15/h2-8H,17H2,1H3
InChIKeyTXMFDVXCAFONTP-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.34
Rot. Bonds2

About 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline

5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline (PubChem CID 114731889) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
PubChem CID114731889
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2cc3cc(Cl)ccc3o2)cc1N
InChIInChI=1S/C15H12ClNO2/c1-18-14-4-2-9(7-12(14)17)15-8-10-6-11(16)3-5-13(10)19-15/h2-8H,17H2,1H3
InChIKeyTXMFDVXCAFONTP-UHFFFAOYSA-N
XLogP4.34
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
CID 7730706
methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate
CID 172602986
2-(3-bromophenyl)-5-chloro-1-benzofuran
CID 91689952
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
CID 107626948
6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline?
The IUPAC name of 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline (CID 114731889) is 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline?
The canonical SMILES for 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline is COc1ccc(-c2cc3cc(Cl)ccc3o2)cc1N.
What is the InChIKey of 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline?
The InChIKey is TXMFDVXCAFONTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-18-14-4-2-9(7-12(14)17)15-8-10-6-11(16)3-5-13(10)19-15/h2-8H,17H2,1H3.
What are the key properties of 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline?
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline has a molecular weight of 273.72 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline is sourced from PubChem (CID 114731889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).