4-(2-hydroxynonadecylamino)phenol

C25H45NO2 — CID 162495059

IUPAC4-(2-hydroxynonadecylamino)phenol
SMILESCCCCCCCCCCCCCCCCCC(O)CNc1ccc(O)cc1
InChIInChI=1S/C25H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)22-26-23-18-20-24(27)21-19-23/h18-21,25-28H,2-17,22H2,1H3
InChIKeyBJTNPUCMHNOIAG-UHFFFAOYSA-N
MW391.64 g/mol
LogP7.43
Rot. Bonds19

About 4-(2-hydroxynonadecylamino)phenol

4-(2-hydroxynonadecylamino)phenol (PubChem CID 162495059) has the molecular formula C25H45NO2 and a molecular weight of 391.64 g/mol. Its IUPAC name is 4-(2-hydroxynonadecylamino)phenol.

Molecular Properties

Compound Name4-(2-hydroxynonadecylamino)phenol
PubChem CID162495059
Molecular FormulaC25H45NO2
Molecular Weight391.64 g/mol
Exact Mass391.35
IUPAC Name4-(2-hydroxynonadecylamino)phenol
SMILESCCCCCCCCCCCCCCCCCC(O)CNc1ccc(O)cc1
InChIInChI=1S/C25H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)22-26-23-18-20-24(27)21-19-23/h18-21,25-28H,2-17,22H2,1H3
InChIKeyBJTNPUCMHNOIAG-UHFFFAOYSA-N
XLogP7.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 57.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-anilinoheptan-2-ol
CID 114998464
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-chloro-3-(4-heptylanilino)propan-2-ol
CID 168640950
1-(tert-butylamino)octan-2-ol
CID 62774713
4-(1-hydroxytridecyl)phenol
CID 57120972
4-[bis(2-hydroxytridecyl)amino]phenol
CID 162495079
1-anilinoheptacosan-13-ol
CID 151401190
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
octan-2-yl 2-(4-hydroxyanilino)acetate
CID 61302691
3-(4-nonoxyanilino)propane-1,2-diol
CID 168593717
4-(2-methylpropylamino)phenol
CID 15847203
1-(methylamino)tetradecan-2-ol
CID 18332301

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxynonadecylamino)phenol?
The IUPAC name of 4-(2-hydroxynonadecylamino)phenol (CID 162495059) is 4-(2-hydroxynonadecylamino)phenol.
What is the SMILES notation for 4-(2-hydroxynonadecylamino)phenol?
The canonical SMILES for 4-(2-hydroxynonadecylamino)phenol is CCCCCCCCCCCCCCCCCC(O)CNc1ccc(O)cc1.
What is the InChIKey of 4-(2-hydroxynonadecylamino)phenol?
The InChIKey is BJTNPUCMHNOIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)22-26-23-18-20-24(27)21-19-23/h18-21,25-28H,2-17,22H2,1H3.
What are the key properties of 4-(2-hydroxynonadecylamino)phenol?
4-(2-hydroxynonadecylamino)phenol has a molecular weight of 391.64 g/mol, XLogP of 7.43, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxynonadecylamino)phenol is sourced from PubChem (CID 162495059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).