5-amino-2-nonylphenol

C15H25NO — CID 152595596

IUPAC5-amino-2-nonylphenol
SMILESCCCCCCCCCc1ccc(N)cc1O
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-9-13-10-11-14(16)12-15(13)17/h10-12,17H,2-9,16H2,1H3
InChIKeyYWKGRDFYJJXQOX-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.27
Rot. Bonds8

About 5-amino-2-nonylphenol

5-amino-2-nonylphenol (PubChem CID 152595596) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-amino-2-nonylphenol.

Molecular Properties

Compound Name5-amino-2-nonylphenol
PubChem CID152595596
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-amino-2-nonylphenol
SMILESCCCCCCCCCc1ccc(N)cc1O
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-9-13-10-11-14(16)12-15(13)17/h10-12,17H,2-9,16H2,1H3
InChIKeyYWKGRDFYJJXQOX-UHFFFAOYSA-N
XLogP4.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-amino-2-hexylphenyl)-4-hexylaniline
CID 69236433
4-tricosylbenzene-1,3-diol
CID 101133990
3-methyl-4-octylaniline
CID 139523093
2-butyl-5-pentadecylphenol
CID 175271686
4-fluoro-3-octylaniline
CID 70083692
3-chloro-4-hexylaniline
CID 139793989
5-chloro-2-dodecylphenol
CID 102279992
2-decylphenol;hydrazine
CID 159983030
3-hexyl-4-iodoaniline
CID 139793962
2-dodecylphenol
CID 160834917
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
5-ethoxy-2-hexylphenol
CID 3021981

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-nonylphenol?
The IUPAC name of 5-amino-2-nonylphenol (CID 152595596) is 5-amino-2-nonylphenol.
What is the SMILES notation for 5-amino-2-nonylphenol?
The canonical SMILES for 5-amino-2-nonylphenol is CCCCCCCCCc1ccc(N)cc1O.
What is the InChIKey of 5-amino-2-nonylphenol?
The InChIKey is YWKGRDFYJJXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-9-13-10-11-14(16)12-15(13)17/h10-12,17H,2-9,16H2,1H3.
What are the key properties of 5-amino-2-nonylphenol?
5-amino-2-nonylphenol has a molecular weight of 235.37 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-nonylphenol is sourced from PubChem (CID 152595596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).