3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine

C17H27NO — CID 64852089

IUPAC3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccccc2C)C1(C)C
InChIInChI=1S/C17H27NO/c1-6-19-16-11-15(17(16,4)5)18-13(3)14-10-8-7-9-12(14)2/h7-10,13,15-16,18H,6,11H2,1-5H3
InChIKeyRLLIKVKDILRGMP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 64852089) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID64852089
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccccc2C)C1(C)C
InChIInChI=1S/C17H27NO/c1-6-19-16-11-15(17(16,4)5)18-13(3)14-10-8-7-9-12(14)2/h7-10,13,15-16,18H,6,11H2,1-5H3
InChIKeyRLLIKVKDILRGMP-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64852507
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81401968
3-ethoxy-N-[1-(furan-2-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 64853268
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
3-ethoxy-N-[1-(furan-3-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 103784928
3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79763220
3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852133
3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64852889
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 103830771
3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine
CID 64851923

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine (CID 64852089) is 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine is CCOC1CC(NC(C)c2ccccc2C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is RLLIKVKDILRGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-19-16-11-15(17(16,4)5)18-13(3)14-10-8-7-9-12(14)2/h7-10,13,15-16,18H,6,11H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 64852089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).