3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine

C14H19ClFNO — CID 66350938

IUPAC3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNO/c1-3-14(4-2)12(17)8-13(14)18-9-5-6-11(16)10(15)7-9/h5-7,12-13H,3-4,8,17H2,1-2H3
InChIKeyYCKNEDJCELZGMH-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.76
Rot. Bonds4

About 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine

3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine (PubChem CID 66350938) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
PubChem CID66350938
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNO/c1-3-14(4-2)12(17)8-13(14)18-9-5-6-11(16)10(15)7-9/h5-7,12-13H,3-4,8,17H2,1-2H3
InChIKeyYCKNEDJCELZGMH-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66359693
3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66356904
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680
3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350711
3-(3-chloro-4-fluorophenoxy)-N-ethylcyclobutan-1-amine
CID 66351585
4-(3-chloro-2,2-diethylcyclobutyl)oxy-1-fluoro-2-(trifluoromethyl)benzene
CID 102747760
3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 66358090
3-(4-bromo-2-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-amine
CID 115403053
3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66357326
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 66359569
3-(3-chloro-4-nitrophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66352213

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine (CID 66350938) is 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine is CCC1(CC)C(N)CC1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine?
The InChIKey is YCKNEDJCELZGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-3-14(4-2)12(17)8-13(14)18-9-5-6-11(16)10(15)7-9/h5-7,12-13H,3-4,8,17H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine?
3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine has a molecular weight of 271.76 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 66350938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).