N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine

C14H20FNO2 — CID 113439838

IUPACN-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(F)cc2C)C1OC
InChIInChI=1S/C14H20FNO2/c1-4-16-11-8-13(14(11)17-3)18-12-6-5-10(15)7-9(12)2/h5-7,11,13-14,16H,4,8H2,1-3H3
InChIKeyBXDCCCCHGFEMPO-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.28
Rot. Bonds5

About N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine

N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine (PubChem CID 113439838) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
PubChem CID113439838
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(F)cc2C)C1OC
InChIInChI=1S/C14H20FNO2/c1-4-16-11-8-13(14(11)17-3)18-12-6-5-10(15)7-9(12)2/h5-7,11,13-14,16H,4,8H2,1-3H3
InChIKeyBXDCCCCHGFEMPO-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 113439779
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674733
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797
N-ethyl-2-methoxy-3-(4-methylphenoxy)cyclobutan-1-amine
CID 113439757
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine
CID 113439799
3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-one
CID 104673518
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553
N-ethyl-2-methoxy-3-(3-methyl-4-nitrophenoxy)cyclobutan-1-amine
CID 104674218
N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943730
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine (CID 113439838) is N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine is CCNC1CC(Oc2ccc(F)cc2C)C1OC.
What is the InChIKey of N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine?
The InChIKey is BXDCCCCHGFEMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-16-11-8-13(14(11)17-3)18-12-6-5-10(15)7-9(12)2/h5-7,11,13-14,16H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine?
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine has a molecular weight of 253.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 113439838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).