3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine

C17H27NO — CID 65170112

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccccc2)C1(C)CC
InChIInChI=1S/C17H27NO/c1-5-17(4)15(12-16(17)19-6-2)18-13(3)14-10-8-7-9-11-14/h7-11,13,15-16,18H,5-6,12H2,1-4H3
InChIKeyQBAYWMOFZNEJRF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine (PubChem CID 65170112) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
PubChem CID65170112
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccccc2)C1(C)CC
InChIInChI=1S/C17H27NO/c1-5-17(4)15(12-16(17)19-6-2)18-13(3)14-10-8-7-9-11-14/h7-11,13,15-16,18H,5-6,12H2,1-4H3
InChIKeyQBAYWMOFZNEJRF-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
CID 65167987
N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 81382778
3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 65167752
N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167622
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 65168094
3-ethoxy-2-ethyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 65169719
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173
3-ethoxy-N-(1-ethoxypropan-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65169280
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine (CID 65170112) is 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine is CCOC1CC(NC(C)c2ccccc2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine?
The InChIKey is QBAYWMOFZNEJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-17(4)15(12-16(17)19-6-2)18-13(3)14-10-8-7-9-11-14/h7-11,13,15-16,18H,5-6,12H2,1-4H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine is sourced from PubChem (CID 65170112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).