1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine

C18H29NO — CID 64745947

IUPAC1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C18H29NO/c1-5-19-15(4)16-7-10-17(11-8-16)20-18-9-6-13(2)14(3)12-18/h7-8,10-11,13-15,18-19H,5-6,9,12H2,1-4H3
InChIKeySHGLJMYTAYYLEC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.56
Rot. Bonds5

About 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine

1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine (PubChem CID 64745947) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
PubChem CID64745947
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C18H29NO/c1-5-19-15(4)16-7-10-17(11-8-16)20-18-9-6-13(2)14(3)12-18/h7-8,10-11,13-15,18-19H,5-6,9,12H2,1-4H3
InChIKeySHGLJMYTAYYLEC-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine
CID 107717054
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558124
N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine
CID 77054350
1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 105051444
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103132895
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
2-[4-(3,4-dimethylcyclohexyl)oxyphenyl]acetonitrile
CID 64739371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine (CID 64745947) is 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine is CCNC(C)c1ccc(OC2CCC(C)C(C)C2)cc1.
What is the InChIKey of 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The InChIKey is SHGLJMYTAYYLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-15(4)16-7-10-17(11-8-16)20-18-9-6-13(2)14(3)12-18/h7-8,10-11,13-15,18-19H,5-6,9,12H2,1-4H3.
What are the key properties of 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 64745947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).