N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine

C15H21NO — CID 81048090

IUPACN-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
SMILESCCCc1ccc2occ(CCNCC)c2c1
InChIInChI=1S/C15H21NO/c1-3-5-12-6-7-15-14(10-12)13(11-17-15)8-9-16-4-2/h6-7,10-11,16H,3-5,8-9H2,1-2H3
InChIKeyZWRMCQPXGVMZJY-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine

N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine (PubChem CID 81048090) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
PubChem CID81048090
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
SMILESCCCc1ccc2occ(CCNCC)c2c1
InChIInChI=1S/C15H21NO/c1-3-5-12-6-7-15-14(10-12)13(11-17-15)8-9-16-4-2/h6-7,10-11,16H,3-5,8-9H2,1-2H3
InChIKeyZWRMCQPXGVMZJY-UHFFFAOYSA-N
XLogP3.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.54
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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Related Compounds

2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048863
1-methyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]thiourea
CID 139699439
N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
CID 81035436
N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81041074
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
1-cyclobutyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]urea
CID 21460951
N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide
CID 21460962
N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81038290
N-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]henicos-1-en-2-amine
CID 137414303
N-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81048608
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206607

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine (CID 81048090) is N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine is CCCc1ccc2occ(CCNCC)c2c1.
What is the InChIKey of N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine?
The InChIKey is ZWRMCQPXGVMZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-12-6-7-15-14(10-12)13(11-17-15)8-9-16-4-2/h6-7,10-11,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine?
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 81048090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).