2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine

C19H31NO — CID 64744360

IUPAC2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(COC1CCC(C)C(C)C1)c1ccccc1C
InChIInChI=1S/C19H31NO/c1-5-20-19(18-9-7-6-8-15(18)3)13-21-17-11-10-14(2)16(4)12-17/h6-9,14,16-17,19-20H,5,10-13H2,1-4H3
InChIKeySAHRSMAWELOUCO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds6

About 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine

2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 64744360) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID64744360
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(COC1CCC(C)C(C)C1)c1ccccc1C
InChIInChI=1S/C19H31NO/c1-5-20-19(18-9-7-6-8-15(18)3)13-21-17-11-10-14(2)16(4)12-17/h6-9,14,16-17,19-20H,5,10-13H2,1-4H3
InChIKeySAHRSMAWELOUCO-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyloxy-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 62114747
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 103168245
ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745584
2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125
N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
CID 114058381
2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
CID 64745929
N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 63475452
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine (CID 64744360) is 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(COC1CCC(C)C(C)C1)c1ccccc1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is SAHRSMAWELOUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-19(18-9-7-6-8-15(18)3)13-21-17-11-10-14(2)16(4)12-17/h6-9,14,16-17,19-20H,5,10-13H2,1-4H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64744360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).