1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine

C17H25N — CID 62079589

IUPAC1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)C1=CCCCC1
InChIInChI=1S/C17H25N/c1-3-18-17(15-10-5-4-6-11-15)13-16-12-8-7-9-14(16)2/h7-10,12,17-18H,3-6,11,13H2,1-2H3
InChIKeyZYUOGSKIKIUPGO-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.02
Rot. Bonds5

About 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine

1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine (PubChem CID 62079589) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
PubChem CID62079589
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)C1=CCCCC1
InChIInChI=1S/C17H25N/c1-3-18-17(15-10-5-4-6-11-15)13-16-12-8-7-9-14(16)2/h7-10,12,17-18H,3-6,11,13H2,1-2H3
InChIKeyZYUOGSKIKIUPGO-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine
CID 55034560
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
1-(cyclohexen-1-yl)-N-ethyl-2-naphthalen-2-ylethanamine
CID 106657295
N-[1-(cyclohexen-1-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 63505635
1-[(1E)-cycloocten-1-yl]-2-(2-methylphenyl)ethanamine
CID 106652690
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
1-(cyclohepten-1-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 106653192
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
CID 106653493
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652839
1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 106657196

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine (CID 62079589) is 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The InChIKey is ZYUOGSKIKIUPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-18-17(15-10-5-4-6-11-15)13-16-12-8-7-9-14(16)2/h7-10,12,17-18H,3-6,11,13H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine has a molecular weight of 243.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 62079589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).