2-[4-(pentadecylamino)phenyl]ethanol

C23H41NO — CID 20525862

IUPAC2-[4-(pentadecylamino)phenyl]ethanol
SMILESCCCCCCCCCCCCCCCNc1ccc(CCO)cc1
InChIInChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-24-23-17-15-22(16-18-23)19-21-25/h15-18,24-25H,2-14,19-21H2,1H3
InChIKeyUSCOOHMUCCYZIX-UHFFFAOYSA-N
MW347.59 g/mol
LogP6.72
Rot. Bonds17

About 2-[4-(pentadecylamino)phenyl]ethanol

2-[4-(pentadecylamino)phenyl]ethanol (PubChem CID 20525862) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is 2-[4-(pentadecylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(pentadecylamino)phenyl]ethanol
PubChem CID20525862
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name2-[4-(pentadecylamino)phenyl]ethanol
SMILESCCCCCCCCCCCCCCCNc1ccc(CCO)cc1
InChIInChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-24-23-17-15-22(16-18-23)19-21-25/h15-18,24-25H,2-14,19-21H2,1H3
InChIKeyUSCOOHMUCCYZIX-UHFFFAOYSA-N
XLogP6.72
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 ≤ 56.72
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

5-(4-butylanilino)pentan-1-ol
CID 62228069
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274
6-(4-propylanilino)hexan-1-ol
CID 103868001
4-(2-chloroethyl)-N-pentylaniline
CID 65023933
4-(chloromethyl)-N-hexylaniline
CID 65025803
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
2-[4-(nonylamino)phenyl]acetonitrile
CID 63491741
N-ethyl-2-[4-(octylamino)phenyl]acetamide
CID 43737514
methyl 4-(4-hexylanilino)butanoate
CID 142177665
3-amino-4-(4-octylanilino)butan-1-ol
CID 45256386
N-ethyl-4-nonylaniline
CID 154108619

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pentadecylamino)phenyl]ethanol?
The IUPAC name of 2-[4-(pentadecylamino)phenyl]ethanol (CID 20525862) is 2-[4-(pentadecylamino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(pentadecylamino)phenyl]ethanol?
The canonical SMILES for 2-[4-(pentadecylamino)phenyl]ethanol is CCCCCCCCCCCCCCCNc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(pentadecylamino)phenyl]ethanol?
The InChIKey is USCOOHMUCCYZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-24-23-17-15-22(16-18-23)19-21-25/h15-18,24-25H,2-14,19-21H2,1H3.
What are the key properties of 2-[4-(pentadecylamino)phenyl]ethanol?
2-[4-(pentadecylamino)phenyl]ethanol has a molecular weight of 347.59 g/mol, XLogP of 6.72, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pentadecylamino)phenyl]ethanol is sourced from PubChem (CID 20525862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).