N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine

C18H25NO — CID 43400232

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine
SMILESCCCCc1oc2ccccc2c1CNC(C)C1CC1
InChIInChI=1S/C18H25NO/c1-3-4-8-18-16(12-19-13(2)14-10-11-14)15-7-5-6-9-17(15)20-18/h5-7,9,13-14,19H,3-4,8,10-12H2,1-2H3
InChIKeyLNKQSIPYYFULPM-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.66
Rot. Bonds7

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine

N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine (PubChem CID 43400232) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine
PubChem CID43400232
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine
SMILESCCCCc1oc2ccccc2c1CNC(C)C1CC1
InChIInChI=1S/C18H25NO/c1-3-4-8-18-16(12-19-13(2)14-10-11-14)15-7-5-6-9-17(15)20-18/h5-7,9,13-14,19H,3-4,8,10-12H2,1-2H3
InChIKeyLNKQSIPYYFULPM-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295422
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
CID 83009139
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
3-[(2-butyl-1-benzofuran-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731518
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine
CID 107588194
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine (CID 43400232) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine is CCCCc1oc2ccccc2c1CNC(C)C1CC1.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine?
The InChIKey is LNKQSIPYYFULPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-4-8-18-16(12-19-13(2)14-10-11-14)15-7-5-6-9-17(15)20-18/h5-7,9,13-14,19H,3-4,8,10-12H2,1-2H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine is sourced from PubChem (CID 43400232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).