2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine

C17H27NO — CID 63474157

IUPAC2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1Oc1cccc(C)c1C
InChIInChI=1S/C17H27NO/c1-13-9-8-12-16(14(13)2)19-17-11-7-5-4-6-10-15(17)18-3/h8-9,12,15,17-18H,4-7,10-11H2,1-3H3
InChIKeyWMDAEJWNRGOBSJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds3

About 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine

2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine (PubChem CID 63474157) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
PubChem CID63474157
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1Oc1cccc(C)c1C
InChIInChI=1S/C17H27NO/c1-13-9-8-12-16(14(13)2)19-17-11-7-5-4-6-10-15(17)18-3/h8-9,12,15,17-18H,4-7,10-11H2,1-3H3
InChIKeyWMDAEJWNRGOBSJ-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine (CID 63474157) is 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine is CNC1CCCCCCC1Oc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine?
The InChIKey is WMDAEJWNRGOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-8-12-16(14(13)2)19-17-11-7-5-4-6-10-15(17)18-3/h8-9,12,15,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine?
2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine is sourced from PubChem (CID 63474157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).