3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine

C18H29NO — CID 66359337

IUPAC3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(C)c(C)c2)C1(C)CC
InChIInChI=1S/C18H29NO/c1-6-10-19-16-12-17(18(16,5)7-2)20-15-9-8-13(3)14(4)11-15/h8-9,11,16-17,19H,6-7,10,12H2,1-5H3
InChIKeyQOTBFOPZRKDUGH-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds6

About 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine

3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine (PubChem CID 66359337) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
PubChem CID66359337
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(C)c(C)c2)C1(C)CC
InChIInChI=1S/C18H29NO/c1-6-10-19-16-12-17(18(16,5)7-2)20-15-9-8-13(3)14(4)11-15/h8-9,11,16-17,19H,6-7,10,12H2,1-5H3
InChIKeyQOTBFOPZRKDUGH-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66358932
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
2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine
CID 116794315
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66352641
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548
3-(4-chloro-3-methylphenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66357801
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652
N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
CID 66358001
1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
CID 66345737
3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358217

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine (CID 66359337) is 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(C)c(C)c2)C1(C)CC.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The InChIKey is QOTBFOPZRKDUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-10-19-16-12-17(18(16,5)7-2)20-15-9-8-13(3)14(4)11-15/h8-9,11,16-17,19H,6-7,10,12H2,1-5H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66359337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).