2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine

C18H27NO2 — CID 116661815

IUPAC2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H27NO2/c1-4-19-16(12-14-8-6-5-7-9-14)15-10-11-17(20-2)18(13-15)21-3/h8,10-11,13,16,19H,4-7,9,12H2,1-3H3
InChIKeyIPNYSJDTOMOPOK-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.24
Rot. Bonds7

About 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine

2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine (PubChem CID 116661815) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
PubChem CID116661815
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H27NO2/c1-4-19-16(12-14-8-6-5-7-9-14)15-10-11-17(20-2)18(13-15)21-3/h8,10-11,13,16,19H,4-7,9,12H2,1-3H3
InChIKeyIPNYSJDTOMOPOK-UHFFFAOYSA-N
XLogP4.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(4-chloro-3-methoxyphenyl)-2-(cyclohexen-1-yl)-N-methylethanamine
CID 116661458
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 116661892
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661813
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125915
[2-(cyclohexen-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105270064

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine (CID 116661815) is 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine is CCNC(CC1=CCCCC1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine?
The InChIKey is IPNYSJDTOMOPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-19-16(12-14-8-6-5-7-9-14)15-10-11-17(20-2)18(13-15)21-3/h8,10-11,13,16,19H,4-7,9,12H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine?
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 116661815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).