2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine

C17H27NO2 — CID 62107386

IUPAC2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
SMILESCNCC(OC1CCCCC1C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-13-6-4-5-7-16(13)20-17(12-18-2)14-8-10-15(19-3)11-9-14/h8-11,13,16-18H,4-7,12H2,1-3H3
InChIKeyPDYCGXAOSHUWOJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine

2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine (PubChem CID 62107386) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
PubChem CID62107386
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
SMILESCNCC(OC1CCCCC1C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-13-6-4-5-7-16(13)20-17(12-18-2)14-8-10-15(19-3)11-9-14/h8-11,13,16-18H,4-7,12H2,1-3H3
InChIKeyPDYCGXAOSHUWOJ-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine (CID 62107386) is 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine is CNCC(OC1CCCCC1C)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine?
The InChIKey is PDYCGXAOSHUWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-6-4-5-7-16(13)20-17(12-18-2)14-8-10-15(19-3)11-9-14/h8-11,13,16-18H,4-7,12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine?
2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 62107386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).