2-benzyl-3,6-dimethyl-1-benzofuran-5-amine

C17H17NO — CID 67447409

IUPAC2-benzyl-3,6-dimethyl-1-benzofuran-5-amine
SMILESCc1cc2oc(Cc3ccccc3)c(C)c2cc1N
InChIInChI=1S/C17H17NO/c1-11-8-17-14(10-15(11)18)12(2)16(19-17)9-13-6-4-3-5-7-13/h3-8,10H,9,18H2,1-2H3
InChIKeyYBMBNNPWCMONPY-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.22
Rot. Bonds2

About 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine

2-benzyl-3,6-dimethyl-1-benzofuran-5-amine (PubChem CID 67447409) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-benzyl-3,6-dimethyl-1-benzofuran-5-amine
PubChem CID67447409
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-benzyl-3,6-dimethyl-1-benzofuran-5-amine
SMILESCc1cc2oc(Cc3ccccc3)c(C)c2cc1N
InChIInChI=1S/C17H17NO/c1-11-8-17-14(10-15(11)18)12(2)16(19-17)9-13-6-4-3-5-7-13/h3-8,10H,9,18H2,1-2H3
InChIKeyYBMBNNPWCMONPY-UHFFFAOYSA-N
XLogP4.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine?
The IUPAC name of 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine (CID 67447409) is 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine.
What is the SMILES notation for 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine?
The canonical SMILES for 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine is Cc1cc2oc(Cc3ccccc3)c(C)c2cc1N.
What is the InChIKey of 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine?
The InChIKey is YBMBNNPWCMONPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-8-17-14(10-15(11)18)12(2)16(19-17)9-13-6-4-3-5-7-13/h3-8,10H,9,18H2,1-2H3.
What are the key properties of 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine?
2-benzyl-3,6-dimethyl-1-benzofuran-5-amine has a molecular weight of 251.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,6-dimethyl-1-benzofuran-5-amine is sourced from PubChem (CID 67447409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).