3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine

C14H21NO — CID 66358499

IUPAC3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2c(C)cccc2C)C1
InChIInChI=1S/C14H21NO/c1-4-15-12-8-13(9-12)16-14-10(2)6-5-7-11(14)3/h5-7,12-13,15H,4,8-9H2,1-3H3
InChIKeyCYDVYMXEXLAWNB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds4

About 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine

3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine (PubChem CID 66358499) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine
PubChem CID66358499
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2c(C)cccc2C)C1
InChIInChI=1S/C14H21NO/c1-4-15-12-8-13(9-12)16-14-10(2)6-5-7-11(14)3/h5-7,12-13,15H,4,8-9H2,1-3H3
InChIKeyCYDVYMXEXLAWNB-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine
CID 66359646
N-ethyl-3-(2-propoxyphenoxy)cyclobutan-1-amine
CID 66359384
N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
CID 115953881
N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 66351826
N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 142365199
3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine
CID 66357735
N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952581
3-(3-ethoxyphenoxy)-N-ethylcyclopentan-1-amine
CID 79632753
3-(3-chloro-4-fluorophenoxy)-N-ethylcyclobutan-1-amine
CID 66351585
[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methanol
CID 112612421
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine (CID 66358499) is 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine is CCNC1CC(Oc2c(C)cccc2C)C1.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine?
The InChIKey is CYDVYMXEXLAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-12-8-13(9-12)16-14-10(2)6-5-7-11(14)3/h5-7,12-13,15H,4,8-9H2,1-3H3.
What are the key properties of 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine?
3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 66358499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).