N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine

C18H25NO — CID 115493603

IUPACN-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCCCc1ccc2oc(C(NCC)C3CC3)cc2c1
InChIInChI=1S/C18H25NO/c1-3-5-6-13-7-10-16-15(11-13)12-17(20-16)18(19-4-2)14-8-9-14/h7,10-12,14,18-19H,3-6,8-9H2,1-2H3
InChIKeyVEWURZPWPURVBO-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.84
Rot. Bonds7

About N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine

N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine (PubChem CID 115493603) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
PubChem CID115493603
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCCCc1ccc2oc(C(NCC)C3CC3)cc2c1
InChIInChI=1S/C18H25NO/c1-3-5-6-13-7-10-16-15(11-13)12-17(20-16)18(19-4-2)14-8-9-14/h7,10-12,14,18-19H,3-6,8-9H2,1-2H3
InChIKeyVEWURZPWPURVBO-UHFFFAOYSA-N
XLogP4.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 115493598
1-cyclopropyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 65441197
1-(5-propyl-1-benzofuran-2-yl)ethanamine
CID 65439611
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863656
N-ethyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]ethanamine
CID 65438441
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784

Frequently Asked Questions

What is the IUPAC name of N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine (CID 115493603) is N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine is CCCCc1ccc2oc(C(NCC)C3CC3)cc2c1.
What is the InChIKey of N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The InChIKey is VEWURZPWPURVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-5-6-13-7-10-16-15(11-13)12-17(20-16)18(19-4-2)14-8-9-14/h7,10-12,14,18-19H,3-6,8-9H2,1-2H3.
What are the key properties of N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 115493603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).