N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine

C17H27NO — CID 62108098

IUPACN-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
SMILESCNCC(OC1CCC(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H27NO/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-5,8-9,14,16-18H,6-7,10-12H2,1-3H3
InChIKeyCRUXYVNQFFUDQL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine

N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine (PubChem CID 62108098) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
PubChem CID62108098
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
SMILESCNCC(OC1CCC(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H27NO/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-5,8-9,14,16-18H,6-7,10-12H2,1-3H3
InChIKeyCRUXYVNQFFUDQL-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
CID 55036283
N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63475863
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 63474259
2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
CID 106204976
N-methyl-2-(oxan-4-yloxy)-2-phenylethanamine
CID 62107330
2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine
CID 64745158
2-(4-methoxyphenyl)-N-methyl-2-(3-methylcyclohexyl)oxyethanamine
CID 62110723
[2-iodo-1-(4-methylphenyl)ethoxy]cycloheptane
CID 114773753
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
2-cyclobutyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62383123
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine (CID 62108098) is N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine is CNCC(OC1CCC(C)CC1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine?
The InChIKey is CRUXYVNQFFUDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-5,8-9,14,16-18H,6-7,10-12H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine?
N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62108098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).