3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine

C17H27NO — CID 66351327

IUPAC3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2c(C(C)C)cccc2C(C)C)C1
InChIInChI=1S/C17H27NO/c1-11(2)15-7-6-8-16(12(3)4)17(15)19-14-9-13(10-14)18-5/h6-8,11-14,18H,9-10H2,1-5H3
InChIKeyYNPLHKXJUNJYRU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.06
Rot. Bonds5

About 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine

3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine (PubChem CID 66351327) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine
PubChem CID66351327
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2c(C(C)C)cccc2C(C)C)C1
InChIInChI=1S/C17H27NO/c1-11(2)15-7-6-8-16(12(3)4)17(15)19-14-9-13(10-14)18-5/h6-8,11-14,18H,9-10H2,1-5H3
InChIKeyYNPLHKXJUNJYRU-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichlorophenoxy)-N-methylcyclobutan-1-amine
CID 66359692
2-cyclopenta-2,4-dien-1-yloxy-1,3-di(propan-2-yl)benzene
CID 175449132
3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
CID 115403052
(3S)-3-[2,6-di(propan-2-yl)phenoxy]pyrrolidine
CID 115460410
2-(3-bromo-2,2-dimethylcyclobutyl)oxy-1,3-di(propan-2-yl)benzene
CID 66346241
3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine
CID 104674749
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1,3-di(propan-2-yl)benzene
CID 66346442
3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine
CID 66358499
N-(2-propan-2-ylphenyl)piperidin-4-amine
CID 61016047
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712367
N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine
CID 117020203

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine (CID 66351327) is 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine is CNC1CC(Oc2c(C(C)C)cccc2C(C)C)C1.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine?
The InChIKey is YNPLHKXJUNJYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11(2)15-7-6-8-16(12(3)4)17(15)19-14-9-13(10-14)18-5/h6-8,11-14,18H,9-10H2,1-5H3.
What are the key properties of 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine?
3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66351327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).