N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine

C14H19NO — CID 115677897

IUPACN-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1cc2cc(CNC(C)C)oc2cc1C
InChIInChI=1S/C14H19NO/c1-9(2)15-8-13-7-12-5-10(3)11(4)6-14(12)16-13/h5-7,9,15H,8H2,1-4H3
InChIKeyNJFDQNHIFWCFQU-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.55
Rot. Bonds3

About N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 115677897) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID115677897
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1cc2cc(CNC(C)C)oc2cc1C
InChIInChI=1S/C14H19NO/c1-9(2)15-8-13-7-12-5-10(3)11(4)6-14(12)16-13/h5-7,9,15H,8H2,1-4H3
InChIKeyNJFDQNHIFWCFQU-UHFFFAOYSA-N
XLogP3.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 115677897) is N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine is Cc1cc2cc(CNC(C)C)oc2cc1C.
What is the InChIKey of N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is NJFDQNHIFWCFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)15-8-13-7-12-5-10(3)11(4)6-14(12)16-13/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 115677897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).