3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine

C14H19BrFNO — CID 81326572

IUPAC3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(F)cc(Br)c2)C1(C)C
InChIInChI=1S/C14H19BrFNO/c1-4-17-12-8-13(14(12,2)3)18-11-6-9(15)5-10(16)7-11/h5-7,12-13,17H,4,8H2,1-3H3
InChIKeyVCRCAPSUKDEECM-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.74
Rot. Bonds4

About 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine

3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 81326572) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID81326572
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(F)cc(Br)c2)C1(C)C
InChIInChI=1S/C14H19BrFNO/c1-4-17-12-8-13(14(12,2)3)18-11-6-9(15)5-10(16)7-11/h5-7,12-13,17H,4,8H2,1-3H3
InChIKeyVCRCAPSUKDEECM-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-5-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 81325638
3-(5-bromo-2-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114677211
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
N-ethyl-3-(2-methoxyphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358543
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357271
3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66352422
N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357329
3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane
CID 81325637
3-[(5-bromo-3-pyridinyl)oxy]-N-ethylspiro[3.4]octan-1-amine
CID 66350284
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol
CID 81326492

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 81326572) is 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(Oc2cc(F)cc(Br)c2)C1(C)C.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is VCRCAPSUKDEECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-4-17-12-8-13(14(12,2)3)18-11-6-9(15)5-10(16)7-11/h5-7,12-13,17H,4,8H2,1-3H3.
What are the key properties of 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 316.21 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81326572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).