cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine

C18H29NO — CID 106680816

IUPACcyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)C1CCCCCCC1
InChIInChI=1S/C18H29NO/c1-13-11-14(2)17(16(12-13)20-3)18(19)15-9-7-5-4-6-8-10-15/h11-12,15,18H,4-10,19H2,1-3H3
InChIKeyFKUBWZYYEKKUKG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.67
Rot. Bonds3

About cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine

cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine (PubChem CID 106680816) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Namecyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
PubChem CID106680816
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Namecyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)C1CCCCCCC1
InChIInChI=1S/C18H29NO/c1-13-11-14(2)17(16(12-13)20-3)18(19)15-9-7-5-4-6-8-10-15/h11-12,15,18H,4-10,19H2,1-3H3
InChIKeyFKUBWZYYEKKUKG-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
[cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682698
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221
2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207108
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
CID 171268340
4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202406
4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
CID 171198721
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The IUPAC name of cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine (CID 106680816) is cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The canonical SMILES for cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine is COc1cc(C)cc(C)c1C(N)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The InChIKey is FKUBWZYYEKKUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-11-14(2)17(16(12-13)20-3)18(19)15-9-7-5-4-6-8-10-15/h11-12,15,18H,4-10,19H2,1-3H3.
What are the key properties of cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine?
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106680816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).