N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine

C16H25NO3 — CID 104674553

IUPACN-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
SMILESCCCOc1ccc(OC2CC(NCC)C2OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-10-19-12-6-8-13(9-7-12)20-15-11-14(17-5-2)16(15)18-3/h6-9,14-17H,4-5,10-11H2,1-3H3
InChIKeyOULHFPORPGEIRP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.62
Rot. Bonds8

About N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine

N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine (PubChem CID 104674553) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
PubChem CID104674553
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
SMILESCCCOc1ccc(OC2CC(NCC)C2OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-10-19-12-6-8-13(9-7-12)20-15-11-14(17-5-2)16(15)18-3/h6-9,14-17H,4-5,10-11H2,1-3H3
InChIKeyOULHFPORPGEIRP-UHFFFAOYSA-N
XLogP2.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-3-(4-methylphenoxy)cyclobutan-1-amine
CID 113439757
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943234
N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
CID 104674218
3-(3-chloro-4-nitrophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 104674795
3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104675018
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
CID 63474556
3-(3,4-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676375
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943185
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 113439838
3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 113439779
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine (CID 104674553) is N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine is CCCOc1ccc(OC2CC(NCC)C2OC)cc1.
What is the InChIKey of N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The InChIKey is OULHFPORPGEIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-10-19-12-6-8-13(9-7-12)20-15-11-14(17-5-2)16(15)18-3/h6-9,14-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine?
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104674553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).