3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine

C16H21ClFNO — CID 82717363

IUPAC3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2ccc(Cl)c(F)c2)C12CCCCC2
InChIInChI=1S/C16H21ClFNO/c1-19-14-10-15(16(14)7-3-2-4-8-16)20-11-5-6-12(17)13(18)9-11/h5-6,9,14-15,19H,2-4,7-8,10H2,1H3
InChIKeyWVXAYBUTTMTPPT-UHFFFAOYSA-N
MW297.80 g/mol
LogP4.17
Rot. Bonds3

About 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine

3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine (PubChem CID 82717363) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
PubChem CID82717363
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2ccc(Cl)c(F)c2)C12CCCCC2
InChIInChI=1S/C16H21ClFNO/c1-19-14-10-15(16(14)7-3-2-4-8-16)20-11-5-6-12(17)13(18)9-11/h5-6,9,14-15,19H,2-4,7-8,10H2,1H3
InChIKeyWVXAYBUTTMTPPT-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane
CID 82718582
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
CID 66359517
3-(4-chloro-3,5-dimethylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359072
3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350711
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306
3-(4-chloro-3-ethylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66356846

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine (CID 82717363) is 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine is CNC1CC(Oc2ccc(Cl)c(F)c2)C12CCCCC2.
What is the InChIKey of 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine?
The InChIKey is WVXAYBUTTMTPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-19-14-10-15(16(14)7-3-2-4-8-16)20-11-5-6-12(17)13(18)9-11/h5-6,9,14-15,19H,2-4,7-8,10H2,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine?
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine has a molecular weight of 297.80 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 82717363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).