16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine

C25H43NO — CID 176835378

IUPAC16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
SMILESC=Cc1ccc(COCCCCCCCCCCCCCCCCN)cc1
InChIInChI=1S/C25H43NO/c1-2-24-17-19-25(20-18-24)23-27-22-16-14-12-10-8-6-4-3-5-7-9-11-13-15-21-26/h2,17-20H,1,3-16,21-23,26H2
InChIKeyUXYROTOQGLSHEJ-UHFFFAOYSA-N
MW373.63 g/mol
LogP7.27
Rot. Bonds19

About 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine

16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine (PubChem CID 176835378) has the molecular formula C25H43NO and a molecular weight of 373.63 g/mol. Its IUPAC name is 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine.

Molecular Properties

Compound Name16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
PubChem CID176835378
Molecular FormulaC25H43NO
Molecular Weight373.63 g/mol
Exact Mass373.33
IUPAC Name16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
SMILESC=Cc1ccc(COCCCCCCCCCCCCCCCCN)cc1
InChIInChI=1S/C25H43NO/c1-2-24-17-19-25(20-18-24)23-27-22-16-14-12-10-8-6-4-3-5-7-9-11-13-15-21-26/h2,17-20H,1,3-16,21-23,26H2
InChIKeyUXYROTOQGLSHEJ-UHFFFAOYSA-N
XLogP7.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 57.27
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

3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
4-[(4-ethenylphenyl)methoxy]butyl-dimethoxysilane
CID 173322451
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
CID 71420169
6-[(4-phenylphenyl)methoxy]hexan-1-amine
CID 22237387
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
sodium 4-[8-[(4-ethenylphenyl)methoxy]octoxy]-4-oxobutanoate
CID 101246684
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
2-[(4-ethenylphenyl)methoxy]ethyl-dimethoxysilane
CID 154323756
(4-ethenylphenyl)methoxymethylsilane
CID 159198884

Frequently Asked Questions

What is the IUPAC name of 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine?
The IUPAC name of 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine (CID 176835378) is 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine.
What is the SMILES notation for 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine?
The canonical SMILES for 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine is C=Cc1ccc(COCCCCCCCCCCCCCCCCN)cc1.
What is the InChIKey of 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine?
The InChIKey is UXYROTOQGLSHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO/c1-2-24-17-19-25(20-18-24)23-27-22-16-14-12-10-8-6-4-3-5-7-9-11-13-15-21-26/h2,17-20H,1,3-16,21-23,26H2.
What are the key properties of 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine?
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine has a molecular weight of 373.63 g/mol, XLogP of 7.27, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine is sourced from PubChem (CID 176835378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).