N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine

C15H20ClNO — CID 81048081

IUPACN-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
SMILESCCCNCCc1coc2cc(C)c(Cl)c(C)c12
InChIInChI=1S/C15H20ClNO/c1-4-6-17-7-5-12-9-18-13-8-10(2)15(16)11(3)14(12)13/h8-9,17H,4-7H2,1-3H3
InChIKeyWLAGXCWMRCBESE-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.25
Rot. Bonds5

About N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine

N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine (PubChem CID 81048081) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
PubChem CID81048081
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
SMILESCCCNCCc1coc2cc(C)c(Cl)c(C)c12
InChIInChI=1S/C15H20ClNO/c1-4-6-17-7-5-12-9-18-13-8-10(2)15(16)11(3)14(12)13/h8-9,17H,4-7H2,1-3H3
InChIKeyWLAGXCWMRCBESE-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.25
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-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine (CID 81048081) is N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine is CCCNCCc1coc2cc(C)c(Cl)c(C)c12.
What is the InChIKey of N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine?
The InChIKey is WLAGXCWMRCBESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-6-17-7-5-12-9-18-13-8-10(2)15(16)11(3)14(12)13/h8-9,17H,4-7H2,1-3H3.
What are the key properties of N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine?
N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine has a molecular weight of 265.78 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81048081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).