2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine

C17H27NO — CID 83974493

IUPAC2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
SMILESCCOc1ccc(C)cc1C(CN)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-19-17-10-9-13(2)11-15(17)16(12-18)14-7-5-4-6-8-14/h9-11,14,16H,3-8,12,18H2,1-2H3
InChIKeyFFMRTSFUIDGFRF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.02
Rot. Bonds5

About 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine

2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine (PubChem CID 83974493) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
PubChem CID83974493
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
SMILESCCOc1ccc(C)cc1C(CN)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-19-17-10-9-13(2)11-15(17)16(12-18)14-7-5-4-6-8-14/h9-11,14,16H,3-8,12,18H2,1-2H3
InChIKeyFFMRTSFUIDGFRF-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79018516
2-(5-tert-butyl-2-ethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83974980
2-cyclopentyl-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82933827
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83974722
2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974680
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974682

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine (CID 83974493) is 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine is CCOc1ccc(C)cc1C(CN)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine?
The InChIKey is FFMRTSFUIDGFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-19-17-10-9-13(2)11-15(17)16(12-18)14-7-5-4-6-8-14/h9-11,14,16H,3-8,12,18H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine?
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.02, 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-ethoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 83974493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).