N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine

C13H18FNO — CID 66351826

IUPACN-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(C)ccc2F)C1
InChIInChI=1S/C13H18FNO/c1-3-15-10-7-11(8-10)16-13-6-9(2)4-5-12(13)14/h4-6,10-11,15H,3,7-8H2,1-2H3
InChIKeyGQRLBJOHBBLHRO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds4

About N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine

N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine (PubChem CID 66351826) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
PubChem CID66351826
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(C)ccc2F)C1
InChIInChI=1S/C13H18FNO/c1-3-15-10-7-11(8-10)16-13-6-9(2)4-5-12(13)14/h4-6,10-11,15H,3,7-8H2,1-2H3
InChIKeyGQRLBJOHBBLHRO-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
CID 79632348
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine
CID 66359646
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 142365199
N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943730
3-(3-chloro-4-fluorophenoxy)-N-ethylcyclobutan-1-amine
CID 66351585
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66351796
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine
CID 107662318
3-(2,6-dimethylphenoxy)-N-ethylcyclobutan-1-amine
CID 66358499
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclopentan-1-amine
CID 79643021

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine (CID 66351826) is N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine is CCNC1CC(Oc2cc(C)ccc2F)C1.
What is the InChIKey of N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine?
The InChIKey is GQRLBJOHBBLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-15-10-7-11(8-10)16-13-6-9(2)4-5-12(13)14/h4-6,10-11,15H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine?
N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66351826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).