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

C17H25NO — CID 116661553

IUPAC2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(CC2=CCCCC2)NC)cc1
InChIInChI=1S/C17H25NO/c1-3-19-16-11-9-15(10-12-16)17(18-2)13-14-7-5-4-6-8-14/h7,9-12,17-18H,3-6,8,13H2,1-2H3
InChIKeyOCDWVOMUOQOVFV-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.24
Rot. Bonds6

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

2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine (PubChem CID 116661553) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
PubChem CID116661553
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(CC2=CCCCC2)NC)cc1
InChIInChI=1S/C17H25NO/c1-3-19-16-11-9-15(10-12-16)17(18-2)13-14-7-5-4-6-8-14/h7,9-12,17-18H,3-6,8,13H2,1-2H3
InChIKeyOCDWVOMUOQOVFV-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.24
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-ethylethanamine
CID 116661833
2-(cyclohexen-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 116661619
2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
CID 114522221
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 116661434
1-(4-chloro-3-methoxyphenyl)-2-(cyclohexen-1-yl)-N-methylethanamine
CID 116661458
2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 116661610
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 62553312
cyclohexen-1-yl-(4-ethoxyphenyl)methanol
CID 55033893
2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 116661576
2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 116661577
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine (CID 116661553) is 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine is CCOc1ccc(C(CC2=CCCCC2)NC)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The InChIKey is OCDWVOMUOQOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-19-16-11-9-15(10-12-16)17(18-2)13-14-7-5-4-6-8-14/h7,9-12,17-18H,3-6,8,13H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine?
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine has a molecular weight of 259.39 g/mol, XLogP of 4.24, 6 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-methylethanamine is sourced from PubChem (CID 116661553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).