N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine

C18H23NO — CID 116506465

IUPACN-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1occc1C
InChIInChI=1S/C18H23NO/c1-3-19-17(18-13(2)11-12-20-18)16-9-7-15(8-10-16)14-5-4-6-14/h7-12,14,17,19H,3-6H2,1-2H3
InChIKeyNVXHPRYKUNIXRA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.55
Rot. Bonds5

About N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine

N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine (PubChem CID 116506465) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
PubChem CID116506465
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1occc1C
InChIInChI=1S/C18H23NO/c1-3-19-17(18-13(2)11-12-20-18)16-9-7-15(8-10-16)14-5-4-6-14/h7-12,14,17,19H,3-6H2,1-2H3
InChIKeyNVXHPRYKUNIXRA-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-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105044884
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025
N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104805386
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981
N-[(4-cyclobutylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 116506103
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
CID 62078327
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
CID 104805664
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine (CID 116506465) is N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)c1occc1C.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is NVXHPRYKUNIXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-19-17(18-13(2)11-12-20-18)16-9-7-15(8-10-16)14-5-4-6-14/h7-12,14,17,19H,3-6H2,1-2H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine?
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-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-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 116506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).