2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine

C19H31NO — CID 114340831

IUPAC2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(COC2CCC(C)(C)CC2)NC)cc1
InChIInChI=1S/C19H31NO/c1-5-15-6-8-16(9-7-15)18(20-4)14-21-17-10-12-19(2,3)13-11-17/h6-9,17-18,20H,5,10-14H2,1-4H3
InChIKeyACONOJISHJNVCM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds6

About 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine

2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine (PubChem CID 114340831) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
PubChem CID114340831
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(COC2CCC(C)(C)CC2)NC)cc1
InChIInChI=1S/C19H31NO/c1-5-15-6-8-16(9-7-15)18(20-4)14-21-17-10-12-19(2,3)13-11-17/h6-9,17-18,20H,5,10-14H2,1-4H3
InChIKeyACONOJISHJNVCM-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-(4-ethylphenyl)-N-methylethanamine
CID 62139676
2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
CID 64745929
2-(4,4-dimethylcyclohexyl)oxy-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 114340795
N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
CID 102606147
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
CID 114340843
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol
CID 114341931

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine (CID 114340831) is 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(C(COC2CCC(C)(C)CC2)NC)cc1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is ACONOJISHJNVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-15-6-8-16(9-7-15)18(20-4)14-21-17-10-12-19(2,3)13-11-17/h6-9,17-18,20H,5,10-14H2,1-4H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine?
2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine 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-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 114340831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).