1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine

C19H31NO — CID 104748853

IUPAC1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
SMILESCCNC(COc1cc(C)cc(C)c1C)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-5-20-18(17-9-7-6-8-10-17)13-21-19-12-14(2)11-15(3)16(19)4/h11-12,17-18,20H,5-10,13H2,1-4H3
InChIKeyIROWYELPGSIVST-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.55
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine

1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine (PubChem CID 104748853) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
PubChem CID104748853
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
SMILESCCNC(COc1cc(C)cc(C)c1C)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-5-20-18(17-9-7-6-8-10-17)13-21-19-12-14(2)11-15(3)16(19)4/h11-12,17-18,20H,5-10,13H2,1-4H3
InChIKeyIROWYELPGSIVST-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63907720
1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine
CID 104749281
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine (CID 104748853) is 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine is CCNC(COc1cc(C)cc(C)c1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The InChIKey is IROWYELPGSIVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-18(17-9-7-6-8-10-17)13-21-19-12-14(2)11-15(3)16(19)4/h11-12,17-18,20H,5-10,13H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine?
1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine is sourced from PubChem (CID 104748853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).