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

C13H18FNO — CID 142365199

IUPACN-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(C)cc(F)c2)C1
InChIInChI=1S/C13H18FNO/c1-3-15-11-7-13(8-11)16-12-5-9(2)4-10(14)6-12/h4-6,11,13,15H,3,7-8H2,1-2H3
InChIKeyGOSFCGKXGZKNNL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds4

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

N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine (PubChem CID 142365199) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
PubChem CID142365199
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(C)cc(F)c2)C1
InChIInChI=1S/C13H18FNO/c1-3-15-11-7-13(8-11)16-12-5-9(2)4-10(14)6-12/h4-6,11,13,15H,3,7-8H2,1-2H3
InChIKeyGOSFCGKXGZKNNL-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine (CID 142365199) is N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine is CCNC1CC(Oc2cc(C)cc(F)c2)C1.
What is the InChIKey of N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine?
The InChIKey is GOSFCGKXGZKNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-15-11-7-13(8-11)16-12-5-9(2)4-10(14)6-12/h4-6,11,13,15H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine?
N-ethyl-3-(3-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-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 142365199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).