1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine

C17H16ClNO2 — CID 67752088

IUPAC1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)c(Cl)cc1C(N)c1cc2ccccc2o1
InChIInChI=1S/C17H16ClNO2/c1-10-7-15(20-2)12(9-13(10)18)17(19)16-8-11-5-3-4-6-14(11)21-16/h3-9,17H,19H2,1-2H3
InChIKeyRAZHQPWCBAIOFX-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.45
Rot. Bonds3

About 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine

1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine (PubChem CID 67752088) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
PubChem CID67752088
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)c(Cl)cc1C(N)c1cc2ccccc2o1
InChIInChI=1S/C17H16ClNO2/c1-10-7-15(20-2)12(9-13(10)18)17(19)16-8-11-5-3-4-6-14(11)21-16/h3-9,17H,19H2,1-2H3
InChIKeyRAZHQPWCBAIOFX-UHFFFAOYSA-N
XLogP4.45
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride
CID 139710624
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine
CID 67751602
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine (CID 67752088) is 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine is COc1cc(C)c(Cl)cc1C(N)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine?
The InChIKey is RAZHQPWCBAIOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-7-15(20-2)12(9-13(10)18)17(19)16-8-11-5-3-4-6-14(11)21-16/h3-9,17H,19H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine?
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine has a molecular weight of 301.77 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 67752088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).