2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine

C16H25NO — CID 170888196

IUPAC2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(CCN)cc1C1CCCCC1
InChIInChI=1S/C16H25NO/c1-2-18-16-9-8-13(10-11-17)12-15(16)14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11,17H2,1H3
InChIKeyGBVFYAPQFDQMSP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.63
Rot. Bonds5

About 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine

2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine (PubChem CID 170888196) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
PubChem CID170888196
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(CCN)cc1C1CCCCC1
InChIInChI=1S/C16H25NO/c1-2-18-16-9-8-13(10-11-17)12-15(16)14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11,17H2,1H3
InChIKeyGBVFYAPQFDQMSP-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64773825
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890212
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259679
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine (CID 170888196) is 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine is CCOc1ccc(CCN)cc1C1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine?
The InChIKey is GBVFYAPQFDQMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-18-16-9-8-13(10-11-17)12-15(16)14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11,17H2,1H3.
What are the key properties of 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine?
2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 170888196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).