3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine

C16H22FNO — CID 107171641

IUPAC3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(Oc2ccc(C)c(F)c2)C12CCCC2
InChIInChI=1S/C16H22FNO/c1-11-5-6-12(9-13(11)17)19-15-10-14(18-2)16(15)7-3-4-8-16/h5-6,9,14-15,18H,3-4,7-8,10H2,1-2H3
InChIKeyPHKYNGOIABOBBE-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.43
Rot. Bonds3

About 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine

3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine (PubChem CID 107171641) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
PubChem CID107171641
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(Oc2ccc(C)c(F)c2)C12CCCC2
InChIInChI=1S/C16H22FNO/c1-11-5-6-12(9-13(11)17)19-15-10-14(18-2)16(15)7-3-4-8-16/h5-6,9,14-15,18H,3-4,7-8,10H2,1-2H3
InChIKeyPHKYNGOIABOBBE-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
3-(4-chloro-3,5-dimethylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359072
N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
CID 66359517
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
3-(2-bromo-4-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357153
3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350711

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine (CID 107171641) is 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine is CNC1CC(Oc2ccc(C)c(F)c2)C12CCCC2.
What is the InChIKey of 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine?
The InChIKey is PHKYNGOIABOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-5-6-12(9-13(11)17)19-15-10-14(18-2)16(15)7-3-4-8-16/h5-6,9,14-15,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine?
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine is sourced from PubChem (CID 107171641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).