2-(hexadecylamino)phenol

C22H39NO — CID 154256819

IUPAC2-(hexadecylamino)phenol
SMILESCCCCCCCCCCCCCCCCNc1ccccc1O
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22(21)24/h15-16,18-19,23-24H,2-14,17,20H2,1H3
InChIKeyMAYPYKPBUZARFY-UHFFFAOYSA-N
MW333.56 g/mol
LogP7.29
Rot. Bonds16

About 2-(hexadecylamino)phenol

2-(hexadecylamino)phenol (PubChem CID 154256819) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-(hexadecylamino)phenol.

Molecular Properties

Compound Name2-(hexadecylamino)phenol
PubChem CID154256819
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name2-(hexadecylamino)phenol
SMILESCCCCCCCCCCCCCCCCNc1ccccc1O
InChIInChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22(21)24/h15-16,18-19,23-24H,2-14,17,20H2,1H3
InChIKeyMAYPYKPBUZARFY-UHFFFAOYSA-N
XLogP7.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hexadecylamino)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

1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2,3-bis(octylamino)phenol
CID 67224440
5-(dodecylamino)naphthalen-1-ol
CID 11438841
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
N-heptyl-2-methylsulfanylaniline
CID 43683418
2-(tetradecylamino)benzoic acid
CID 15090293
2-(octadecylamino)-6-phenylphenol
CID 138395030
[2-(hexadecylamino)phenyl]-trimethylazanium
CID 21226594
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
CID 67638434
5-ethyl-2-(pentylamino)phenol
CID 70255943

Frequently Asked Questions

What is the IUPAC name of 2-(hexadecylamino)phenol?
The IUPAC name of 2-(hexadecylamino)phenol (CID 154256819) is 2-(hexadecylamino)phenol.
What is the SMILES notation for 2-(hexadecylamino)phenol?
The canonical SMILES for 2-(hexadecylamino)phenol is CCCCCCCCCCCCCCCCNc1ccccc1O.
What is the InChIKey of 2-(hexadecylamino)phenol?
The InChIKey is MAYPYKPBUZARFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22(21)24/h15-16,18-19,23-24H,2-14,17,20H2,1H3.
What are the key properties of 2-(hexadecylamino)phenol?
2-(hexadecylamino)phenol has a molecular weight of 333.56 g/mol, XLogP of 7.29, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecylamino)phenol is sourced from PubChem (CID 154256819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).