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

C19H31NO — CID 63473844

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine
SMILESCCNC(COC1CCCCC1C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H31NO/c1-5-20-18(17-11-10-14(2)16(4)12-17)13-21-19-9-7-6-8-15(19)3/h10-12,15,18-20H,5-9,13H2,1-4H3
InChIKeyDDAIJNSOTRAIGF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.55
Rot. Bonds6

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

1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine (PubChem CID 63473844) 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-(2-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine
PubChem CID63473844
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine
SMILESCCNC(COC1CCCCC1C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H31NO/c1-5-20-18(17-11-10-14(2)16(4)12-17)13-21-19-9-7-6-8-15(19)3/h10-12,15,18-20H,5-9,13H2,1-4H3
InChIKeyDDAIJNSOTRAIGF-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

N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63475077
1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
CID 63474390
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815
1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63104056
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63955360
1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43488017

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine (CID 63473844) is 1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine is CCNC(COC1CCCCC1C)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine?
The InChIKey is DDAIJNSOTRAIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-18(17-11-10-14(2)16(4)12-17)13-21-19-9-7-6-8-15(19)3/h10-12,15,18-20H,5-9,13H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylcyclohexyl)oxyethanamine?
1-(3,4-dimethylphenyl)-N-ethyl-2-(2-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-(2-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 63473844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).