2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine

C18H29NO2 — CID 64728380

IUPAC2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)COC1CC(C)CC(C)C1
InChIInChI=1S/C18H29NO2/c1-12-5-6-18(20-4)16(10-12)17(19)11-21-15-8-13(2)7-14(3)9-15/h5-6,10,13-15,17H,7-9,11,19H2,1-4H3
InChIKeyZYXPMIBDPUNJNO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.84
Rot. Bonds5

About 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine

2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 64728380) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID64728380
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)COC1CC(C)CC(C)C1
InChIInChI=1S/C18H29NO2/c1-12-5-6-18(20-4)16(10-12)17(19)11-21-15-8-13(2)7-14(3)9-15/h5-6,10,13-15,17H,7-9,11,19H2,1-4H3
InChIKeyZYXPMIBDPUNJNO-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
CID 64728823
1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127988
2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43183961
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine (CID 64728380) is 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(N)COC1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is ZYXPMIBDPUNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-5-6-18(20-4)16(10-12)17(19)11-21-15-8-13(2)7-14(3)9-15/h5-6,10,13-15,17H,7-9,11,19H2,1-4H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 64728380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).