2-hexoxy-N-methyl-2-phenylethanamine

C15H25NO — CID 55036294

IUPAC2-hexoxy-N-methyl-2-phenylethanamine
SMILESCCCCCCOC(CNC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-4-5-9-12-17-15(13-16-2)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13H2,1-2H3
InChIKeyVCFZLUGGWJRBQY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds9

About 2-hexoxy-N-methyl-2-phenylethanamine

2-hexoxy-N-methyl-2-phenylethanamine (PubChem CID 55036294) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-hexoxy-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-hexoxy-N-methyl-2-phenylethanamine
PubChem CID55036294
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-hexoxy-N-methyl-2-phenylethanamine
SMILESCCCCCCOC(CNC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-4-5-9-12-17-15(13-16-2)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13H2,1-2H3
InChIKeyVCFZLUGGWJRBQY-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
1-dodecoxyhexylbenzene
CID 174774790
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
1-pentoxypropylbenzene
CID 57033372
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
1-pentoxybutylbenzene
CID 173061669
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
didecoxymethylbenzene
CID 150039155
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
3-hexoxy-3-phenylpropanenitrile
CID 115002769

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-methyl-2-phenylethanamine?
The IUPAC name of 2-hexoxy-N-methyl-2-phenylethanamine (CID 55036294) is 2-hexoxy-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-hexoxy-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-hexoxy-N-methyl-2-phenylethanamine is CCCCCCOC(CNC)c1ccccc1.
What is the InChIKey of 2-hexoxy-N-methyl-2-phenylethanamine?
The InChIKey is VCFZLUGGWJRBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-9-12-17-15(13-16-2)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13H2,1-2H3.
What are the key properties of 2-hexoxy-N-methyl-2-phenylethanamine?
2-hexoxy-N-methyl-2-phenylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-methyl-2-phenylethanamine is sourced from PubChem (CID 55036294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).