2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine

C14H20FNO — CID 66357331

IUPAC2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-4-14(2)12(16-3)9-13(14)17-11-7-5-6-10(15)8-11/h5-8,12-13,16H,4,9H2,1-3H3
InChIKeyJSZYBGQYBPIGIT-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.98
Rot. Bonds4

About 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine

2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine (PubChem CID 66357331) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
PubChem CID66357331
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-4-14(2)12(16-3)9-13(14)17-11-7-5-6-10(15)8-11/h5-8,12-13,16H,4,9H2,1-3H3
InChIKeyJSZYBGQYBPIGIT-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12807454
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CID 1825705
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine
CID 2247152
3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 164613837
4-[(3-Fluorophenoxy)methyl]piperidine
CID 17178045
N-(tert-butyl)-4-(4-fluorophenoxy)-1-butanamine
CID 2053885
4-(4-Fluorophenoxy)piperidine
CID 3734896
4-(4-Fluorophenoxy)piperidine hydrochloride
CID 13825064
4-(2-Fluorophenoxy)piperidine hydrochloride
CID 16731691
4-(2,4-Difluorophenoxy)piperidine
CID 22397496
4-(3-Fluorophenoxy)piperidine hydrochloride
CID 45074923

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine (CID 66357331) is 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1Oc1cccc(F)c1.
What is the InChIKey of 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine?
The InChIKey is JSZYBGQYBPIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-14(2)12(16-3)9-13(14)17-11-7-5-6-10(15)8-11/h5-8,12-13,16H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine?
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).