N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine

C16H23NO — CID 65440938

IUPACN-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2c(C(C)C)ccc(C)c2o1
InChIInChI=1S/C16H23NO/c1-5-8-17-10-13-9-15-14(11(2)3)7-6-12(4)16(15)18-13/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyRZLIHACMNWIOMC-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.36
Rot. Bonds5

About N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 65440938) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID65440938
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2c(C(C)C)ccc(C)c2o1
InChIInChI=1S/C16H23NO/c1-5-8-17-10-13-9-15-14(11(2)3)7-6-12(4)16(15)18-13/h6-7,9,11,17H,5,8,10H2,1-4H3
InChIKeyRZLIHACMNWIOMC-UHFFFAOYSA-N
XLogP4.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 65440938) is N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1cc2c(C(C)C)ccc(C)c2o1.
What is the InChIKey of N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is RZLIHACMNWIOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-8-17-10-13-9-15-14(11(2)3)7-6-12(4)16(15)18-13/h6-7,9,11,17H,5,8,10H2,1-4H3.
What are the key properties of N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65440938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).