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

C17H27NO — CID 79763220

IUPAC3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2ccccc2C)C1(C)C
InChIInChI=1S/C17H27NO/c1-5-19-16-12-15(17(16,3)4)18-11-10-14-9-7-6-8-13(14)2/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyLJIGHQQAUPFEKO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.33
Rot. Bonds6

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

3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 79763220) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID79763220
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2ccccc2C)C1(C)C
InChIInChI=1S/C17H27NO/c1-5-19-16-12-15(17(16,3)4)18-11-10-14-9-7-6-8-13(14)2/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyLJIGHQQAUPFEKO-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64853256
3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 64852721
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 64852089
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
CID 64850915
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline
CID 102848967
3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 103921823
3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine
CID 103921124
trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 97336063
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine
CID 103921783

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine (CID 79763220) is 3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine is CCOC1CC(NCCc2ccccc2C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is LJIGHQQAUPFEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-19-16-12-15(17(16,3)4)18-11-10-14-9-7-6-8-13(14)2/h6-9,15-16,18H,5,10-12H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.33, 6 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-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79763220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).