N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine

C15H21NO — CID 107669328

IUPACN-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine
SMILESCCNCc1coc2ccc(C(C)CC)cc12
InChIInChI=1S/C15H21NO/c1-4-11(3)12-6-7-15-14(8-12)13(10-17-15)9-16-5-2/h6-8,10-11,16H,4-5,9H2,1-3H3
InChIKeyDWTGMZHTAKGBAY-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.06
Rot. Bonds5

About N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine

N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine (PubChem CID 107669328) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine
PubChem CID107669328
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine
SMILESCCNCc1coc2ccc(C(C)CC)cc12
InChIInChI=1S/C15H21NO/c1-4-11(3)12-6-7-15-14(8-12)13(10-17-15)9-16-5-2/h6-8,10-11,16H,4-5,9H2,1-3H3
InChIKeyDWTGMZHTAKGBAY-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 107669916
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107669906
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 107667356
3-(ethylaminomethyl)-1-benzofuran-6-carboxylic acid
CID 117177757
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090
2-(3-bromo-1-benzofuran-5-yl)propan-1-amine
CID 117388117
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
CID 107667352
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
CID 81035436

Frequently Asked Questions

What is the IUPAC name of N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine (CID 107669328) is N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine is CCNCc1coc2ccc(C(C)CC)cc12.
What is the InChIKey of N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine?
The InChIKey is DWTGMZHTAKGBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-11(3)12-6-7-15-14(8-12)13(10-17-15)9-16-5-2/h6-8,10-11,16H,4-5,9H2,1-3H3.
What are the key properties of N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine?
N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 107669328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).