2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine

C16H25NO — CID 64750202

IUPAC2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCC(Oc2ccc(CCN)cc2)CC1
InChIInChI=1S/C16H25NO/c1-2-13-3-7-15(8-4-13)18-16-9-5-14(6-10-16)11-12-17/h5-6,9-10,13,15H,2-4,7-8,11-12,17H2,1H3
InChIKeyGHBWUEBIXCCQGG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds5

About 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine

2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 64750202) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID64750202
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCC(Oc2ccc(CCN)cc2)CC1
InChIInChI=1S/C16H25NO/c1-2-13-3-7-15(8-4-13)18-16-9-5-14(6-10-16)11-12-17/h5-6,9-10,13,15H,2-4,7-8,11-12,17H2,1H3
InChIKeyGHBWUEBIXCCQGG-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
CID 107709472
1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
CID 64764201
[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid
CID 64747544
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547
1-cyclobutyloxy-4-propylbenzene
CID 178141621
3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol
CID 90182760
(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
CID 64775888
[(4-cyclopropyloxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231410
2-(4-piperidin-3-yloxyphenyl)ethanamine
CID 165357730
2-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914820
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine (CID 64750202) is 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine is CCC1CCC(Oc2ccc(CCN)cc2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is GHBWUEBIXCCQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-13-3-7-15(8-4-13)18-16-9-5-14(6-10-16)11-12-17/h5-6,9-10,13,15H,2-4,7-8,11-12,17H2,1H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine?
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 64750202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).