2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine

C19H31NO — CID 114340795

IUPAC2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(COC1CCC(C)(C)CC1)c1cc(C)cc(C)c1
InChIInChI=1S/C19H31NO/c1-14-10-15(2)12-16(11-14)18(20-5)13-21-17-6-8-19(3,4)9-7-17/h10-12,17-18,20H,6-9,13H2,1-5H3
InChIKeyOMSRRGHUDNGGCG-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.55
Rot. Bonds5

About 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine

2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 114340795) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine
PubChem CID114340795
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(COC1CCC(C)(C)CC1)c1cc(C)cc(C)c1
InChIInChI=1S/C19H31NO/c1-14-10-15(2)12-16(11-14)18(20-5)13-21-17-6-8-19(3,4)9-7-17/h10-12,17-18,20H,6-9,13H2,1-5H3
InChIKeyOMSRRGHUDNGGCG-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine (CID 114340795) is 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine is CNC(COC1CCC(C)(C)CC1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is OMSRRGHUDNGGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-10-15(2)12-16(11-14)18(20-5)13-21-17-6-8-19(3,4)9-7-17/h10-12,17-18,20H,6-9,13H2,1-5H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine?
2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 114340795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).