[2-(hexadecylamino)phenyl]methanol

C23H41NO — CID 12910704

IUPAC[2-(hexadecylamino)phenyl]methanol
SMILESCCCCCCCCCCCCCCCCNc1ccccc1CO
InChIInChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-23-19-16-15-18-22(23)21-25/h15-16,18-19,24-25H,2-14,17,20-21H2,1H3
InChIKeyLZCLDRSIOHMPFW-UHFFFAOYSA-N
MW347.59 g/mol
LogP7.07
Rot. Bonds17

About [2-(hexadecylamino)phenyl]methanol

[2-(hexadecylamino)phenyl]methanol (PubChem CID 12910704) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is [2-(hexadecylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-(hexadecylamino)phenyl]methanol
PubChem CID12910704
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name[2-(hexadecylamino)phenyl]methanol
SMILESCCCCCCCCCCCCCCCCNc1ccccc1CO
InChIInChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-23-19-16-15-18-22(23)21-25/h15-16,18-19,24-25H,2-14,17,20-21H2,1H3
InChIKeyLZCLDRSIOHMPFW-UHFFFAOYSA-N
XLogP7.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(hexadecylamino)phenyl]methanol?
The IUPAC name of [2-(hexadecylamino)phenyl]methanol (CID 12910704) is [2-(hexadecylamino)phenyl]methanol.
What is the SMILES notation for [2-(hexadecylamino)phenyl]methanol?
The canonical SMILES for [2-(hexadecylamino)phenyl]methanol is CCCCCCCCCCCCCCCCNc1ccccc1CO.
What is the InChIKey of [2-(hexadecylamino)phenyl]methanol?
The InChIKey is LZCLDRSIOHMPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-23-19-16-15-18-22(23)21-25/h15-16,18-19,24-25H,2-14,17,20-21H2,1H3.
What are the key properties of [2-(hexadecylamino)phenyl]methanol?
[2-(hexadecylamino)phenyl]methanol has a molecular weight of 347.59 g/mol, XLogP of 7.07, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hexadecylamino)phenyl]methanol is sourced from PubChem (CID 12910704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).