2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine

C16H27NO2 — CID 55036389

IUPAC2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCCCCCCOC(CNC)c1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-11-19-16(13-17-2)14-9-8-10-15(12-14)18-3/h8-10,12,16-17H,4-7,11,13H2,1-3H3
InChIKeyOVMGLCVCPJTTEC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds10

About 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine

2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 55036389) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID55036389
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCCCCCCOC(CNC)c1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-11-19-16(13-17-2)14-9-8-10-15(12-14)18-3/h8-10,12,16-17H,4-7,11,13H2,1-3H3
InChIKeyOVMGLCVCPJTTEC-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.55
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

N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389
1-(2-bromo-1-hexoxyethyl)-3-methoxybenzene
CID 62108343
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
CID 62111220
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine (CID 55036389) is 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine is CCCCCCOC(CNC)c1cccc(OC)c1.
What is the InChIKey of 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is OVMGLCVCPJTTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-7-11-19-16(13-17-2)14-9-8-10-15(12-14)18-3/h8-10,12,16-17H,4-7,11,13H2,1-3H3.
What are the key properties of 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine?
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 55036389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).