3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine

C16H24ClNO2 — CID 104674643

IUPAC3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C)c(Cl)c(C)c2)C1OC
InChIInChI=1S/C16H24ClNO2/c1-5-6-18-13-9-14(16(13)19-4)20-12-7-10(2)15(17)11(3)8-12/h7-8,13-14,16,18H,5-6,9H2,1-4H3
InChIKeyUGBDEZZIMDLMML-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.49
Rot. Bonds6

About 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine

3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine (PubChem CID 104674643) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
PubChem CID104674643
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C)c(Cl)c(C)c2)C1OC
InChIInChI=1S/C16H24ClNO2/c1-5-6-18-13-9-14(16(13)19-4)20-12-7-10(2)15(17)11(3)8-12/h7-8,13-14,16,18H,5-6,9H2,1-4H3
InChIKeyUGBDEZZIMDLMML-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104675018
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674733
2-methoxy-3-(3-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 104674385
3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943656
N-ethyl-2-methoxy-3-(4-methylphenoxy)cyclobutan-1-amine
CID 113439757
N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
CID 104674218
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674725
3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674893

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine (CID 104674643) is 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cc(C)c(Cl)c(C)c2)C1OC.
What is the InChIKey of 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is UGBDEZZIMDLMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-5-6-18-13-9-14(16(13)19-4)20-12-7-10(2)15(17)11(3)8-12/h7-8,13-14,16,18H,5-6,9H2,1-4H3.
What are the key properties of 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104674643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).