N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine

C18H29NO — CID 63474382

IUPACN-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine
SMILESCNC1CCCCCCC1Oc1cc(C)cc(C)c1C
InChIInChI=1S/C18H29NO/c1-13-11-14(2)15(3)18(12-13)20-17-10-8-6-5-7-9-16(17)19-4/h11-12,16-17,19H,5-10H2,1-4H3
InChIKeyAGRMJRNLKNNTPU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.30
Rot. Bonds3

About N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine

N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine (PubChem CID 63474382) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine
PubChem CID63474382
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine
SMILESCNC1CCCCCCC1Oc1cc(C)cc(C)c1C
InChIInChI=1S/C18H29NO/c1-13-11-14(2)15(3)18(12-13)20-17-10-8-6-5-7-9-16(17)19-4/h11-12,16-17,19H,5-10H2,1-4H3
InChIKeyAGRMJRNLKNNTPU-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine?
The IUPAC name of N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine (CID 63474382) is N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine.
What is the SMILES notation for N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine?
The canonical SMILES for N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine is CNC1CCCCCCC1Oc1cc(C)cc(C)c1C.
What is the InChIKey of N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine?
The InChIKey is AGRMJRNLKNNTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-11-14(2)15(3)18(12-13)20-17-10-8-6-5-7-9-16(17)19-4/h11-12,16-17,19H,5-10H2,1-4H3.
What are the key properties of N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine?
N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine is sourced from PubChem (CID 63474382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).