3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine

C16H23ClFNO — CID 66350709

IUPAC3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(F)c(Cl)c2)C1(C)CC
InChIInChI=1S/C16H23ClFNO/c1-4-8-19-14-10-15(16(14,3)5-2)20-11-6-7-13(18)12(17)9-11/h6-7,9,14-15,19H,4-5,8,10H2,1-3H3
InChIKeyANQLDJPFADYJMZ-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.41
Rot. Bonds6

About 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine

3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine (PubChem CID 66350709) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
PubChem CID66350709
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(F)c(Cl)c2)C1(C)CC
InChIInChI=1S/C16H23ClFNO/c1-4-8-19-14-10-15(16(14,3)5-2)20-11-6-7-13(18)12(17)9-11/h6-7,9,14-15,19H,4-5,8,10H2,1-3H3
InChIKeyANQLDJPFADYJMZ-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350711
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66352641
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66358932
2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine
CID 116794315
3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66350938
3-(3-chloro-4-fluorophenoxy)-N-ethylcyclobutan-1-amine
CID 66351585
3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357327
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357069
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine (CID 66350709) is 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(F)c(Cl)c2)C1(C)CC.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
The InChIKey is ANQLDJPFADYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-4-8-19-14-10-15(16(14,3)5-2)20-11-6-7-13(18)12(17)9-11/h6-7,9,14-15,19H,4-5,8,10H2,1-3H3.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine?
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine has a molecular weight of 299.82 g/mol, XLogP of 4.41, 6 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-ethyl-2-methyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66350709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).