1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine

C19H31NO — CID 63474390

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
SMILESCCNC(COC1CCCC(C)C1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H31NO/c1-5-20-19(17-10-9-15(3)16(4)12-17)13-21-18-8-6-7-14(2)11-18/h9-10,12,14,18-20H,5-8,11,13H2,1-4H3
InChIKeyMVDXPOHPFWEGOM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.55
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine

1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine (PubChem CID 63474390) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
PubChem CID63474390
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
SMILESCCNC(COC1CCCC(C)C1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H31NO/c1-5-20-19(17-10-9-15(3)16(4)12-17)13-21-18-8-6-7-14(2)11-18/h9-10,12,14,18-20H,5-8,11,13H2,1-4H3
InChIKeyMVDXPOHPFWEGOM-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-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine
CID 63473844
2-cyclobutyloxy-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62116834
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
2-cyclobutyloxy-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylethanamine
CID 62116838
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632422
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815
N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
CID 64728979
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64744360
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127981

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine (CID 63474390) is 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine is CCNC(COC1CCCC(C)C1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine?
The InChIKey is MVDXPOHPFWEGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-19(17-10-9-15(3)16(4)12-17)13-21-18-8-6-7-14(2)11-18/h9-10,12,14,18-20H,5-8,11,13H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine?
1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine 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-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 63474390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).