3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine

C15H22FNO2 — CID 107943799

IUPAC3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1ccc(F)cc1C
InChIInChI=1S/C15H22FNO2/c1-4-7-18-15-12(17-3)9-14(15)19-13-6-5-11(16)8-10(13)2/h5-6,8,12,14-15,17H,4,7,9H2,1-3H3
InChIKeyZANBLNRLRWDFRJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.67
Rot. Bonds6

About 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine

3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine (PubChem CID 107943799) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
PubChem CID107943799
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1ccc(F)cc1C
InChIInChI=1S/C15H22FNO2/c1-4-7-18-15-12(17-3)9-14(15)19-13-6-5-11(16)8-10(13)2/h5-6,8,12,14-15,17H,4,7,9H2,1-3H3
InChIKeyZANBLNRLRWDFRJ-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943870
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 113439838
3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676317
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
CID 107943604
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309
N-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943203
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943205

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine (CID 107943799) is 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine is CCCOC1C(NC)CC1Oc1ccc(F)cc1C.
What is the InChIKey of 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The InChIKey is ZANBLNRLRWDFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-7-18-15-12(17-3)9-14(15)19-13-6-5-11(16)8-10(13)2/h5-6,8,12,14-15,17H,4,7,9H2,1-3H3.
What are the key properties of 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).