N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine

C20H23NO — CID 67850047

IUPACN,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine
SMILESCCCN(C)c1oc2ccc(C)cc2c1-c1ccc(C)cc1
InChIInChI=1S/C20H23NO/c1-5-12-21(4)20-19(16-9-6-14(2)7-10-16)17-13-15(3)8-11-18(17)22-20/h6-11,13H,5,12H2,1-4H3
InChIKeyKGFKWZWQNVHLJM-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.56
Rot. Bonds4

About N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine

N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine (PubChem CID 67850047) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine
PubChem CID67850047
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine
SMILESCCCN(C)c1oc2ccc(C)cc2c1-c1ccc(C)cc1
InChIInChI=1S/C20H23NO/c1-5-12-21(4)20-19(16-9-6-14(2)7-10-16)17-13-15(3)8-11-18(17)22-20/h6-11,13H,5,12H2,1-4H3
InChIKeyKGFKWZWQNVHLJM-UHFFFAOYSA-N
XLogP5.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine?
The IUPAC name of N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine (CID 67850047) is N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine.
What is the SMILES notation for N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine?
The canonical SMILES for N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine is CCCN(C)c1oc2ccc(C)cc2c1-c1ccc(C)cc1.
What is the InChIKey of N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine?
The InChIKey is KGFKWZWQNVHLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-5-12-21(4)20-19(16-9-6-14(2)7-10-16)17-13-15(3)8-11-18(17)22-20/h6-11,13H,5,12H2,1-4H3.
What are the key properties of N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine?
N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine has a molecular weight of 293.41 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-(4-methylphenyl)-N-propyl-1-benzofuran-2-amine is sourced from PubChem (CID 67850047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).