1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine

C18H29NO — CID 114341296

IUPAC1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1OC1CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-5-19-14(2)16-8-6-7-9-17(16)20-15-10-12-18(3,4)13-11-15/h6-9,14-15,19H,5,10-13H2,1-4H3
InChIKeyRMVHABYTVILNNF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.70
Rot. Bonds5

About 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine

1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine (PubChem CID 114341296) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
PubChem CID114341296
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1OC1CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-5-19-14(2)16-8-6-7-9-17(16)20-15-10-12-18(3,4)13-11-15/h6-9,14-15,19H,5,10-13H2,1-4H3
InChIKeyRMVHABYTVILNNF-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729
1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64735115
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 114341276
4-[2-[1-(ethylamino)ethyl]phenoxy]oxolan-3-ol
CID 114266674
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 43285276
N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61287998
N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
CID 64747468
[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
CID 79647774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine (CID 114341296) is 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine is CCNC(C)c1ccccc1OC1CCC(C)(C)CC1.
What is the InChIKey of 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The InChIKey is RMVHABYTVILNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-14(2)16-8-6-7-9-17(16)20-15-10-12-18(3,4)13-11-15/h6-9,14-15,19H,5,10-13H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 114341296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).