1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine

C18H29NO — CID 80603088

IUPAC1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)C1CCCCCCC1
InChIInChI=1S/C18H29NO/c1-14-10-11-18(20-2)16(12-14)13-17(19)15-8-6-4-3-5-7-9-15/h10-12,15,17H,3-9,13,19H2,1-2H3
InChIKeyRJGRYPYJWKKTNO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.23
Rot. Bonds4

About 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 80603088) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID80603088
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)C1CCCCCCC1
InChIInChI=1S/C18H29NO/c1-14-10-11-18(20-2)16(12-14)13-17(19)15-8-6-4-3-5-7-9-15/h10-12,15,17H,3-9,13,19H2,1-2H3
InChIKeyRJGRYPYJWKKTNO-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
1-(2,3-dihydro-1H-inden-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 65409528
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826565
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine (CID 80603088) is 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CC(N)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is RJGRYPYJWKKTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-10-11-18(20-2)16(12-14)13-17(19)15-8-6-4-3-5-7-9-15/h10-12,15,17H,3-9,13,19H2,1-2H3.
What are the key properties of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine?
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.23, 4 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)ethanamine is sourced from PubChem (CID 80603088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).