N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine

C18H23NO — CID 105052333

IUPACN-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccccc1C1CCC1
InChIInChI=1S/C18H23NO/c1-3-19-18(15-11-13(2)20-12-15)17-10-5-4-9-16(17)14-7-6-8-14/h4-5,9-12,14,18-19H,3,6-8H2,1-2H3
InChIKeyDNNHYYJAWGULNZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.55
Rot. Bonds5

About N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine

N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 105052333) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID105052333
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccccc1C1CCC1
InChIInChI=1S/C18H23NO/c1-3-19-18(15-11-13(2)20-12-15)17-10-5-4-9-16(17)14-7-6-8-14/h4-5,9-12,14,18-19H,3,6-8H2,1-2H3
InChIKeyDNNHYYJAWGULNZ-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
N-[(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 114604084
N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105052183
N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018314
N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105188811
N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 114603367
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(2,5-dibromo-4-methylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820382

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine (CID 105052333) is N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine is CCNC(c1coc(C)c1)c1ccccc1C1CCC1.
What is the InChIKey of N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is DNNHYYJAWGULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-19-18(15-11-13(2)20-12-15)17-10-5-4-9-16(17)14-7-6-8-14/h4-5,9-12,14,18-19H,3,6-8H2,1-2H3.
What are the key properties of N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 105052333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).