[4-(hexadecylamino)phenyl]methanol;hydrochloride

C23H42ClNO — CID 45259683

IUPAC[4-(hexadecylamino)phenyl]methanol;hydrochloride
SMILESCCCCCCCCCCCCCCCCNc1ccc(CO)cc1.Cl
InChIInChI=1S/C23H41NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-23-18-16-22(21-25)17-19-23;/h16-19,24-25H,2-15,20-21H2,1H3;1H
InChIKeyHYVORABIAMAMGN-UHFFFAOYSA-N
MW384.05 g/mol
LogP7.49
Rot. Bonds17

About [4-(hexadecylamino)phenyl]methanol;hydrochloride

[4-(hexadecylamino)phenyl]methanol;hydrochloride (PubChem CID 45259683) has the molecular formula C23H42ClNO and a molecular weight of 384.05 g/mol. Its IUPAC name is [4-(hexadecylamino)phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(hexadecylamino)phenyl]methanol;hydrochloride
PubChem CID45259683
Molecular FormulaC23H42ClNO
Molecular Weight384.05 g/mol
Exact Mass383.30
IUPAC Name[4-(hexadecylamino)phenyl]methanol;hydrochloride
SMILESCCCCCCCCCCCCCCCCNc1ccc(CO)cc1.Cl
InChIInChI=1S/C23H41NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-23-18-16-22(21-25)17-19-23;/h16-19,24-25H,2-15,20-21H2,1H3;1H
InChIKeyHYVORABIAMAMGN-UHFFFAOYSA-N
XLogP7.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.05
LogP ≤ 57.49
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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Related Compounds

4,4'-Bis(dimethylamino)benzhydrol
CID 92742
4-Acetaminobenzyl alcohol
CID 152141
4-Dimethylaminobenzyl alcohol
CID 137166
2-((4-Aminophenethyl)amino)-1-phenylethanol hydrochloride, (R)-
CID 52953007
2-((4-Aminophenethyl)amino)-1-phenylethanol, (R)-
CID 52953008
(2-(Methylamino)phenyl)methanol
CID 295953
2-[2-[4-[(2-Hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol
CID 22986860
4,4'-Bis(dimethylamino)-4''-(methylamino)trityl alcohol
CID 68414
4-Amino-alpha-(((1-methylpropyl)amino)methyl)benzenemethanol
CID 40983
(3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)methanol
CID 43121028
1-(4-Aminophenyl)-2-((propan-2-yl)amino)ethan-1-ol
CID 13187513
1-(4-(Dimethylamino)phenyl)ethan-1-ol
CID 220541

Frequently Asked Questions

What is the IUPAC name of [4-(hexadecylamino)phenyl]methanol;hydrochloride?
The IUPAC name of [4-(hexadecylamino)phenyl]methanol;hydrochloride (CID 45259683) is [4-(hexadecylamino)phenyl]methanol;hydrochloride.
What is the SMILES notation for [4-(hexadecylamino)phenyl]methanol;hydrochloride?
The canonical SMILES for [4-(hexadecylamino)phenyl]methanol;hydrochloride is CCCCCCCCCCCCCCCCNc1ccc(CO)cc1.Cl.
What is the InChIKey of [4-(hexadecylamino)phenyl]methanol;hydrochloride?
The InChIKey is HYVORABIAMAMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-23-18-16-22(21-25)17-19-23;/h16-19,24-25H,2-15,20-21H2,1H3;1H.
What are the key properties of [4-(hexadecylamino)phenyl]methanol;hydrochloride?
[4-(hexadecylamino)phenyl]methanol;hydrochloride has a molecular weight of 384.05 g/mol, XLogP of 7.49, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hexadecylamino)phenyl]methanol;hydrochloride is sourced from PubChem (CID 45259683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).