1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine

C19H31NO — CID 65018291

IUPAC1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)C1CCCCCCC1
InChIInChI=1S/C19H31NO/c1-3-20-18(16-11-7-5-4-6-8-12-16)15-17-13-9-10-14-19(17)21-2/h9-10,13-14,16,18,20H,3-8,11-12,15H2,1-2H3
InChIKeySTONEEPNAQDWAZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.58
Rot. Bonds6

About 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine

1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine (PubChem CID 65018291) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
PubChem CID65018291
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)C1CCCCCCC1
InChIInChI=1S/C19H31NO/c1-3-20-18(16-11-7-5-4-6-8-12-16)15-17-13-9-10-14-19(17)21-2/h9-10,13-14,16,18,20H,3-8,11-12,15H2,1-2H3
InChIKeySTONEEPNAQDWAZ-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-ethyl-3-(2-methoxyphenyl)propan-1-amine
CID 63354961
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094
1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 62407334
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635
1-cyclopropyl-N-ethyl-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 63914549
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine (CID 65018291) is 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine is CCNC(Cc1ccccc1OC)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The InChIKey is STONEEPNAQDWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-20-18(16-11-7-5-4-6-8-12-16)15-17-13-9-10-14-19(17)21-2/h9-10,13-14,16,18,20H,3-8,11-12,15H2,1-2H3.
What are the key properties of 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine?
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 65018291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).