3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine

C14H19ClFNO2 — CID 107943870

IUPAC3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO2/c1-3-7-18-14-10(17-2)8-12(14)19-11-6-4-5-9(15)13(11)16/h4-6,10,12,14,17H,3,7-8H2,1-2H3
InChIKeyIIICIQSKWZFIAQ-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.01
Rot. Bonds6

About 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine

3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine (PubChem CID 107943870) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
PubChem CID107943870
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO2/c1-3-7-18-14-10(17-2)8-12(14)19-11-6-4-5-9(15)13(11)16/h4-6,10,12,14,17H,3,7-8H2,1-2H3
InChIKeyIIICIQSKWZFIAQ-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
N-methyl-3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-amine
CID 107943455
1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 116691082
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine (CID 107943870) is 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine is CCCOC1C(NC)CC1Oc1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The InChIKey is IIICIQSKWZFIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-3-7-18-14-10(17-2)8-12(14)19-11-6-4-5-9(15)13(11)16/h4-6,10,12,14,17H,3,7-8H2,1-2H3.
What are the key properties of 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine has a molecular weight of 287.76 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).