N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine

C17H27NO2 — CID 107943604

IUPACN-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO2/c1-6-7-19-17-14(18-5)10-15(17)20-16-12(3)8-11(2)9-13(16)4/h8-9,14-15,17-18H,6-7,10H2,1-5H3
InChIKeyMFXQVQWOGZIKGF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.15
Rot. Bonds6

About N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine

N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine (PubChem CID 107943604) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
PubChem CID107943604
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO2/c1-6-7-19-17-14(18-5)10-15(17)20-16-12(3)8-11(2)9-13(16)4/h8-9,14-15,17-18H,6-7,10H2,1-5H3
InChIKeyMFXQVQWOGZIKGF-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-propoxycyclobutyl)oxy-1,3,5-trimethylbenzene
CID 107942940
N-methyl-2-propoxy-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 107943502
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943205
N-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943203
3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943234
2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
CID 107942317
3-(2,4-dimethyl-6-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943628
2-ethoxy-N-methyl-3-(2,3,4,5,6-pentafluorophenoxy)cyclobutan-1-amine
CID 104676380

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine?
The IUPAC name of N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine (CID 107943604) is N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine?
The canonical SMILES for N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine is CCCOC1C(NC)CC1Oc1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine?
The InChIKey is MFXQVQWOGZIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-7-19-17-14(18-5)10-15(17)20-16-12(3)8-11(2)9-13(16)4/h8-9,14-15,17-18H,6-7,10H2,1-5H3.
What are the key properties of N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine?
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 107943604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).