1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine

C18H27NO — CID 106652629

IUPAC1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)/C1=C/CCCCCC1
InChIInChI=1S/C18H27NO/c1-19-18(16-8-6-4-3-5-7-9-16)14-15-10-12-17(20-2)13-11-15/h8,10-13,18-19H,3-7,9,14H2,1-2H3/b16-8+
InChIKeyJUUMCHUTCKUUIQ-LZYBPNLTSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds5

About 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine

1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 106652629) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID106652629
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)/C1=C/CCCCCC1
InChIInChI=1S/C18H27NO/c1-19-18(16-8-6-4-3-5-7-9-16)14-15-10-12-17(20-2)13-11-15/h8,10-13,18-19H,3-7,9,14H2,1-2H3/b16-8+
InChIKeyJUUMCHUTCKUUIQ-LZYBPNLTSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 62079036
1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106653948
1-[2-(4-methoxyphenyl)-1-nitroethyl]cycloheptene
CID 10401179
1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 106652697
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
[1-(cyclohexen-1-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 106648692
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 106654780
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine (CID 106652629) is 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is JUUMCHUTCKUUIQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H27NO/c1-19-18(16-8-6-4-3-5-7-9-16)14-15-10-12-17(20-2)13-11-15/h8,10-13,18-19H,3-7,9,14H2,1-2H3/b16-8+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine?
1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 106652629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).