2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine

C18H27NO — CID 116661833

IUPAC2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1ccc(OCC)cc1
InChIInChI=1S/C18H27NO/c1-3-19-18(14-15-8-6-5-7-9-15)16-10-12-17(13-11-16)20-4-2/h8,10-13,18-19H,3-7,9,14H2,1-2H3
InChIKeyZOXWLQDIOLSTDH-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.63
Rot. Bonds7

About 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine

2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine (PubChem CID 116661833) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
PubChem CID116661833
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1ccc(OCC)cc1
InChIInChI=1S/C18H27NO/c1-3-19-18(14-15-8-6-5-7-9-15)16-10-12-17(13-11-16)20-4-2/h8,10-13,18-19H,3-7,9,14H2,1-2H3
InChIKeyZOXWLQDIOLSTDH-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.63
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

2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 116661553
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 116661737
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 116661724
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 114604658
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
cyclohexen-1-yl-(4-ethoxyphenyl)methanol
CID 55033893
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 107360185
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine (CID 116661833) is 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine is CCNC(CC1=CCCCC1)c1ccc(OCC)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The InChIKey is ZOXWLQDIOLSTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-19-18(14-15-8-6-5-7-9-15)16-10-12-17(13-11-16)20-4-2/h8,10-13,18-19H,3-7,9,14H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 116661833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).