2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine

C18H31NO2 — CID 62108868

IUPAC2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OC(CNC)c1ccc(OC)cc1
InChIInChI=1S/C18H31NO2/c1-5-6-7-8-9-15(2)21-18(14-19-3)16-10-12-17(20-4)13-11-16/h10-13,15,18-19H,5-9,14H2,1-4H3
InChIKeyPNUXMZKSJILOQC-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds11

About 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine

2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine (PubChem CID 62108868) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine
PubChem CID62108868
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OC(CNC)c1ccc(OC)cc1
InChIInChI=1S/C18H31NO2/c1-5-6-7-8-9-15(2)21-18(14-19-3)16-10-12-17(20-4)13-11-16/h10-13,15,18-19H,5-9,14H2,1-4H3
InChIKeyPNUXMZKSJILOQC-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethoxypropan-2-yloxy)-2-(4-methoxyphenyl)-N-methylethanamine
CID 103490183
2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276269
N-methyl-2-(3-methylphenyl)-2-octan-2-yloxyethanamine
CID 63476257
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
2-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62108025
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62109907

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine (CID 62108868) is 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine is CCCCCCC(C)OC(CNC)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine?
The InChIKey is PNUXMZKSJILOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-6-7-8-9-15(2)21-18(14-19-3)16-10-12-17(20-4)13-11-16/h10-13,15,18-19H,5-9,14H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine?
2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 11 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-octan-2-yloxyethanamine is sourced from PubChem (CID 62108868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).