3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine

C13H18FNO — CID 66350732

IUPAC3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCc1ccc(F)c(OC2CC(N)C2(C)C)c1
InChIInChI=1S/C13H18FNO/c1-8-4-5-9(14)10(6-8)16-12-7-11(15)13(12,2)3/h4-6,11-12H,7,15H2,1-3H3
InChIKeyYOKZHACLZHOVRO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.64
Rot. Bonds2

About 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine

3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66350732) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66350732
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCc1ccc(F)c(OC2CC(N)C2(C)C)c1
InChIInChI=1S/C13H18FNO/c1-8-4-5-9(14)10(6-8)16-12-7-11(15)13(12,2)3/h4-6,11-12H,7,15H2,1-3H3
InChIKeyYOKZHACLZHOVRO-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2,2-dimethylcyclobutyl)oxy-1-fluoro-4-methylbenzene
CID 66344341
3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66357142
2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one
CID 66367067
3-(2-fluoro-5-methylphenoxy)spiro[3.6]decan-1-ol
CID 66344599
3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66357748
3-(2-bromophenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66359628
4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
CID 64856159
3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
CID 66358567
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66366678
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
3-(2-fluoro-5-methylphenoxy)oxan-4-amine
CID 64854428
3-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 114677220

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine (CID 66350732) is 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine is Cc1ccc(F)c(OC2CC(N)C2(C)C)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is YOKZHACLZHOVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8-4-5-9(14)10(6-8)16-12-7-11(15)13(12,2)3/h4-6,11-12H,7,15H2,1-3H3.
What are the key properties of 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine?
3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66350732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).