1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

C19H31NO — CID 80610569

IUPAC1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)C1CCCCCCC1
InChIInChI=1S/C19H31NO/c1-15-11-12-19(21-3)17(13-15)14-18(20-2)16-9-7-5-4-6-8-10-16/h11-13,16,18,20H,4-10,14H2,1-3H3
InChIKeyKUYTZEOZFDDCLP-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds5

About 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 80610569) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID80610569
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)C1CCCCCCC1
InChIInChI=1S/C19H31NO/c1-15-11-12-19(21-3)17(13-15)14-18(20-2)16-9-7-5-4-6-8-10-16/h11-13,16,18,20H,4-10,14H2,1-3H3
InChIKeyKUYTZEOZFDDCLP-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 65391424
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188088
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79018516
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 80610569) is 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1OC)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is KUYTZEOZFDDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-11-12-19(21-3)17(13-15)14-18(20-2)16-9-7-5-4-6-8-10-16/h11-13,16,18,20H,4-10,14H2,1-3H3.
What are the key properties of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 80610569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).