N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine

C17H17NO3 — CID 67752154

IUPACN-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine
SMILESCOc1ccc(OC)c(N(C)c2occ3ccccc23)c1
InChIInChI=1S/C17H17NO3/c1-18(15-10-13(19-2)8-9-16(15)20-3)17-14-7-5-4-6-12(14)11-21-17/h4-11H,1-3H3
InChIKeyYIBXBRPPGFDGRB-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.22
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine

N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine (PubChem CID 67752154) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine
PubChem CID67752154
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine
SMILESCOc1ccc(OC)c(N(C)c2occ3ccccc23)c1
InChIInChI=1S/C17H17NO3/c1-18(15-10-13(19-2)8-9-16(15)20-3)17-14-7-5-4-6-12(14)11-21-17/h4-11H,1-3H3
InChIKeyYIBXBRPPGFDGRB-UHFFFAOYSA-N
XLogP4.22
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine (CID 67752154) is N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine is COc1ccc(OC)c(N(C)c2occ3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine?
The InChIKey is YIBXBRPPGFDGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(15-10-13(19-2)8-9-16(15)20-3)17-14-7-5-4-6-12(14)11-21-17/h4-11H,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine?
N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine has a molecular weight of 283.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-methyl-2-benzofuran-1-amine is sourced from PubChem (CID 67752154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).