2-hexoxy-2-(3-methylphenyl)ethanamine

C15H25NO — CID 55020472

IUPAC2-hexoxy-2-(3-methylphenyl)ethanamine
SMILESCCCCCCOC(CN)c1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-3-4-5-6-10-17-15(12-16)14-9-7-8-13(2)11-14/h7-9,11,15H,3-6,10,12,16H2,1-2H3
InChIKeyOUWTUDXEFHKMJP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.59
Rot. Bonds8

About 2-hexoxy-2-(3-methylphenyl)ethanamine

2-hexoxy-2-(3-methylphenyl)ethanamine (PubChem CID 55020472) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-hexoxy-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-hexoxy-2-(3-methylphenyl)ethanamine
PubChem CID55020472
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-hexoxy-2-(3-methylphenyl)ethanamine
SMILESCCCCCCOC(CN)c1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-3-4-5-6-10-17-15(12-16)14-9-7-8-13(2)11-14/h7-9,11,15H,3-6,10,12,16H2,1-2H3
InChIKeyOUWTUDXEFHKMJP-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.59
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)-2-heptoxyethanamine
CID 63459731
2-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696
2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine
CID 115492332
1-bromo-3-(2-bromo-1-heptoxyethyl)benzene
CID 63474762
1-(3-methylphenyl)-2-octoxyethanol
CID 55193418
1-dodecoxyhexylbenzene
CID 174774790
1-pentoxypropylbenzene
CID 57033372
2-(2-chlorophenyl)-2-hexoxyethanamine
CID 55022815
2-(2-bromophenyl)-2-heptoxyethanamine
CID 63459548
1-(2-bromo-1-hexoxyethyl)-3-methoxybenzene
CID 62108343
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-[2-bromo-1-(4-methylpentoxy)ethyl]-3-methylbenzene
CID 63474054

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-hexoxy-2-(3-methylphenyl)ethanamine (CID 55020472) is 2-hexoxy-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-hexoxy-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-hexoxy-2-(3-methylphenyl)ethanamine is CCCCCCOC(CN)c1cccc(C)c1.
What is the InChIKey of 2-hexoxy-2-(3-methylphenyl)ethanamine?
The InChIKey is OUWTUDXEFHKMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-6-10-17-15(12-16)14-9-7-8-13(2)11-14/h7-9,11,15H,3-6,10,12,16H2,1-2H3.
What are the key properties of 2-hexoxy-2-(3-methylphenyl)ethanamine?
2-hexoxy-2-(3-methylphenyl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55020472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).