3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine

C17H23ClFNO — CID 66350711

IUPAC3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
SMILESCCCNC1CC(Oc2ccc(F)c(Cl)c2)C12CCCC2
InChIInChI=1S/C17H23ClFNO/c1-2-9-20-15-11-16(17(15)7-3-4-8-17)21-12-5-6-14(19)13(18)10-12/h5-6,10,15-16,20H,2-4,7-9,11H2,1H3
InChIKeySSVUYMFUNDCDNO-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.56
Rot. Bonds5

About 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine

3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine (PubChem CID 66350711) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
PubChem CID66350711
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
SMILESCCCNC1CC(Oc2ccc(F)c(Cl)c2)C12CCCC2
InChIInChI=1S/C17H23ClFNO/c1-2-9-20-15-11-16(17(15)7-3-4-8-17)21-12-5-6-14(19)13(18)10-12/h5-6,10,15-16,20H,2-4,7-9,11H2,1H3
InChIKeySSVUYMFUNDCDNO-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-methylphenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66357801
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-(2-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66351321
3-(3-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 83238202
3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350700
3-(4-chloro-3-ethylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66356846
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
3-(5-chloro-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350968
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
N-ethyl-3-(2,4,6-trichlorophenoxy)spiro[3.4]octan-1-amine
CID 66359462

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine (CID 66350711) is 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine is CCCNC1CC(Oc2ccc(F)c(Cl)c2)C12CCCC2.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine?
The InChIKey is SSVUYMFUNDCDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c1-2-9-20-15-11-16(17(15)7-3-4-8-17)21-12-5-6-14(19)13(18)10-12/h5-6,10,15-16,20H,2-4,7-9,11H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine?
3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine has a molecular weight of 311.83 g/mol, XLogP of 4.56, 5 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)-N-propylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66350711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).