hexadecan-1-amine;phenol

C22H41NO — CID 175347138

IUPAChexadecan-1-amine;phenol
SMILESCCCCCCCCCCCCCCCCN.Oc1ccccc1
InChIInChI=1S/C16H35N.C6H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;7-6-4-2-1-3-5-6/h2-17H2,1H3;1-5,7H
InChIKeyQTEYAFFUVBWWGR-UHFFFAOYSA-N
MW335.58 g/mol
LogP6.82
Rot. Bonds14

About hexadecan-1-amine;phenol

hexadecan-1-amine;phenol (PubChem CID 175347138) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is hexadecan-1-amine;phenol.

Molecular Properties

Compound Namehexadecan-1-amine;phenol
PubChem CID175347138
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Namehexadecan-1-amine;phenol
SMILESCCCCCCCCCCCCCCCCN.Oc1ccccc1
InChIInChI=1S/C16H35N.C6H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;7-6-4-2-1-3-5-6/h2-17H2,1H3;1-5,7H
InChIKeyQTEYAFFUVBWWGR-UHFFFAOYSA-N
XLogP6.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexadecan-1-amine;phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-1-amine;nickel;phenol
CID 174463369
dodecane;phenol
CID 157210063
formaldehyde;hexane-1,6-diamine;phenol
CID 159665484
benzene;octadecan-1-amine
CID 175562752
tetrakis(nonane);phenol;zirconium(4+)
CID 88632131
hexylphosphane;phenol
CID 174816842
butan-1-ol;phenol;titanium
CID 22238727
benzene-1,2-diamine;decan-1-amine
CID 174921659
dodecylbenzene;phenol
CID 159734519
phenol;trihexyl(tetradecyl)phosphanium
CID 139300494
octan-1-amine;N-phenylaniline
CID 68728866
hexane-1,1-diamine;phenol
CID 174607848

Frequently Asked Questions

What is the IUPAC name of hexadecan-1-amine;phenol?
The IUPAC name of hexadecan-1-amine;phenol (CID 175347138) is hexadecan-1-amine;phenol.
What is the SMILES notation for hexadecan-1-amine;phenol?
The canonical SMILES for hexadecan-1-amine;phenol is CCCCCCCCCCCCCCCCN.Oc1ccccc1.
What is the InChIKey of hexadecan-1-amine;phenol?
The InChIKey is QTEYAFFUVBWWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C6H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;7-6-4-2-1-3-5-6/h2-17H2,1H3;1-5,7H.
What are the key properties of hexadecan-1-amine;phenol?
hexadecan-1-amine;phenol has a molecular weight of 335.58 g/mol, XLogP of 6.82, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-amine;phenol is sourced from PubChem (CID 175347138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).