3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

C17H27NO — CID 66358932

IUPAC3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(C)c(C)c2)C1(C)CC
InChIInChI=1S/C17H27NO/c1-6-17(5)15(18-7-2)11-16(17)19-14-9-8-12(3)13(4)10-14/h8-10,15-16,18H,6-7,11H2,1-5H3
InChIKeyPXDAMGGNGRPBJY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds5

About 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (PubChem CID 66358932) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
PubChem CID66358932
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(C)c(C)c2)C1(C)CC
InChIInChI=1S/C17H27NO/c1-6-17(5)15(18-7-2)11-16(17)19-14-9-8-12(3)13(4)10-14/h8-10,15-16,18H,6-7,11H2,1-5H3
InChIKeyPXDAMGGNGRPBJY-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

3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66352641
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548
N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
CID 66358001
3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66357548
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
N,2-diethyl-2-methyl-3-quinolin-3-yloxycyclobutan-1-amine
CID 107388343
1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
CID 66345737
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol
CID 107171617
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66358502

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (CID 66358932) is 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is CCNC1CC(Oc2ccc(C)c(C)c2)C1(C)CC.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The InChIKey is PXDAMGGNGRPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-17(5)15(18-7-2)11-16(17)19-14-9-8-12(3)13(4)10-14/h8-10,15-16,18H,6-7,11H2,1-5H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-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-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66358932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).