2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

C17H27NO — CID 79018516

IUPAC2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNCC(c1cc(C)ccc1OC)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-13-9-10-17(19-3)15(11-13)16(12-18-2)14-7-5-4-6-8-14/h9-11,14,16,18H,4-8,12H2,1-3H3
InChIKeyQAODZVLVEHAHRU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds5

About 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 79018516) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID79018516
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNCC(c1cc(C)ccc1OC)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-13-9-10-17(19-3)15(11-13)16(12-18-2)14-7-5-4-6-8-14/h9-11,14,16,18H,4-8,12H2,1-3H3
InChIKeyQAODZVLVEHAHRU-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82933827
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 103459031
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 175283324
2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
2-fluoro-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 105426365
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 83155274

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 79018516) is 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNCC(c1cc(C)ccc1OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is QAODZVLVEHAHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-10-17(19-3)15(11-13)16(12-18-2)14-7-5-4-6-8-14/h9-11,14,16,18H,4-8,12H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 79018516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).