N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine

C18H26FNO — CID 107662355

IUPACN-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2cccc(C)c2F)C12CCCCC2
InChIInChI=1S/C18H26FNO/c1-3-20-15-12-16(18(15)10-5-4-6-11-18)21-14-9-7-8-13(2)17(14)19/h7-9,15-16,20H,3-6,10-12H2,1-2H3
InChIKeyGJVXHZOFUCVSNG-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.21
Rot. Bonds4

About N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine

N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine (PubChem CID 107662355) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
PubChem CID107662355
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2cccc(C)c2F)C12CCCCC2
InChIInChI=1S/C18H26FNO/c1-3-20-15-12-16(18(15)10-5-4-6-11-18)21-14-9-7-8-13(2)17(14)19/h7-9,15-16,20H,3-6,10-12H2,1-2H3
InChIKeyGJVXHZOFUCVSNG-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357502
3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350700
N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357329
3-(2,4-difluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66357541
3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 107662269
3-(2-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66359577
3-(5-chloro-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350968
3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350264
3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
CID 107662297
3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 114677226
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine (CID 107662355) is N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine is CCNC1CC(Oc2cccc(C)c2F)C12CCCCC2.
What is the InChIKey of N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine?
The InChIKey is GJVXHZOFUCVSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-3-20-15-12-16(18(15)10-5-4-6-11-18)21-14-9-7-8-13(2)17(14)19/h7-9,15-16,20H,3-6,10-12H2,1-2H3.
What are the key properties of N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine?
N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine has a molecular weight of 291.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 107662355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).