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

C18H29NO — CID 64745158

IUPAC2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNCC(OC1CCC(C)C(C)C1)c1cccc(C)c1
InChIInChI=1S/C18H29NO/c1-13-6-5-7-16(10-13)18(12-19-4)20-17-9-8-14(2)15(3)11-17/h5-7,10,14-15,17-19H,8-9,11-12H2,1-4H3
InChIKeyDBPYMUDEFXEGDE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds5

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

2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 64745158) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID64745158
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNCC(OC1CCC(C)C(C)C1)c1cccc(C)c1
InChIInChI=1S/C18H29NO/c1-13-6-5-7-16(10-13)18(12-19-4)20-17-9-8-14(2)15(3)11-17/h5-7,10,14-15,17-19H,8-9,11-12H2,1-4H3
InChIKeyDBPYMUDEFXEGDE-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine
CID 64745897
2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
N-[2-cyclopentyloxy-2-(3-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108431
N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
CID 62108098
2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine
CID 55020520
2-cycloheptyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62109055
N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111410
2-(3-chlorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 55036427
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 64744560
N-methyl-2-(oxan-4-yloxy)-2-phenylethanamine
CID 62107330
N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine
CID 63476257

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine (CID 64745158) is 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine is CNCC(OC1CCC(C)C(C)C1)c1cccc(C)c1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is DBPYMUDEFXEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-6-5-7-16(10-13)18(12-19-4)20-17-9-8-14(2)15(3)11-17/h5-7,10,14-15,17-19H,8-9,11-12H2,1-4H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine?
2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.10, 5 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-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 64745158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).