3-(dioctylamino)phenol

C22H39NO — CID 15734569

IUPAC3-(dioctylamino)phenol
SMILESCCCCCCCCN(CCCCCCCC)c1cccc(O)c1
InChIInChI=1S/C22H39NO/c1-3-5-7-9-11-13-18-23(19-14-12-10-8-6-4-2)21-16-15-17-22(24)20-21/h15-17,20,24H,3-14,18-19H2,1-2H3
InChIKeyDEESEDSYSBALFV-UHFFFAOYSA-N
MW333.56 g/mol
LogP6.92
Rot. Bonds15

About 3-(dioctylamino)phenol

3-(dioctylamino)phenol (PubChem CID 15734569) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 3-(dioctylamino)phenol.

Molecular Properties

Compound Name3-(dioctylamino)phenol
PubChem CID15734569
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name3-(dioctylamino)phenol
SMILESCCCCCCCCN(CCCCCCCC)c1cccc(O)c1
InChIInChI=1S/C22H39NO/c1-3-5-7-9-11-13-18-23(19-14-12-10-8-6-4-2)21-16-15-17-22(24)20-21/h15-17,20,24H,3-14,18-19H2,1-2H3
InChIKeyDEESEDSYSBALFV-UHFFFAOYSA-N
XLogP6.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.92
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-(N-hexadecylanilino)phenol
CID 21083116
4-[nonyl(pentyl)amino]phenol
CID 174874757
3-(dihexylamino)benzoic acid
CID 139785875
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N,N-dioctyloctan-1-amine;3-methylphenol
CID 174801839
N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
N,N-dibutyl-3-methylaniline
CID 15332677
3-[butan-2-yl(butyl)amino]phenol
CID 67927782
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474

Frequently Asked Questions

What is the IUPAC name of 3-(dioctylamino)phenol?
The IUPAC name of 3-(dioctylamino)phenol (CID 15734569) is 3-(dioctylamino)phenol.
What is the SMILES notation for 3-(dioctylamino)phenol?
The canonical SMILES for 3-(dioctylamino)phenol is CCCCCCCCN(CCCCCCCC)c1cccc(O)c1.
What is the InChIKey of 3-(dioctylamino)phenol?
The InChIKey is DEESEDSYSBALFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-3-5-7-9-11-13-18-23(19-14-12-10-8-6-4-2)21-16-15-17-22(24)20-21/h15-17,20,24H,3-14,18-19H2,1-2H3.
What are the key properties of 3-(dioctylamino)phenol?
3-(dioctylamino)phenol has a molecular weight of 333.56 g/mol, XLogP of 6.92, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dioctylamino)phenol is sourced from PubChem (CID 15734569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).