2-amino-5-methyl-4-nonylphenol

C16H27NO — CID 139643471

IUPAC2-amino-5-methyl-4-nonylphenol
SMILESCCCCCCCCCc1cc(N)c(O)cc1C
InChIInChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)16(18)11-13(14)2/h11-12,18H,3-10,17H2,1-2H3
InChIKeyNRFRLVJNIMNLAF-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.58
Rot. Bonds8

About 2-amino-5-methyl-4-nonylphenol

2-amino-5-methyl-4-nonylphenol (PubChem CID 139643471) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-amino-5-methyl-4-nonylphenol.

Molecular Properties

Compound Name2-amino-5-methyl-4-nonylphenol
PubChem CID139643471
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-amino-5-methyl-4-nonylphenol
SMILESCCCCCCCCCc1cc(N)c(O)cc1C
InChIInChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)16(18)11-13(14)2/h11-12,18H,3-10,17H2,1-2H3
InChIKeyNRFRLVJNIMNLAF-UHFFFAOYSA-N
XLogP4.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.58
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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-5-pentadecylphenol
CID 166008290
4-amino-2-bromo-6-hexylbenzene-1,3-diol;hydrobromide
CID 3031772
4,5-didecylbenzene-1,2-diol
CID 15667809
4-dodecyl-6-methylbenzene-1,3-diamine
CID 70404899
3-methyl-4-octylphenol
CID 67863636
3-methyl-4-octylaniline
CID 139523093
5-amino-2-nonylphenol
CID 152595596
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
2-decyl-3,4,5-trimethylphenol
CID 151136943
2,3,4,5-tetradodecylphenol
CID 21465809
3-amino-2-decylphenol
CID 70595254
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4-nonylphenol?
The IUPAC name of 2-amino-5-methyl-4-nonylphenol (CID 139643471) is 2-amino-5-methyl-4-nonylphenol.
What is the SMILES notation for 2-amino-5-methyl-4-nonylphenol?
The canonical SMILES for 2-amino-5-methyl-4-nonylphenol is CCCCCCCCCc1cc(N)c(O)cc1C.
What is the InChIKey of 2-amino-5-methyl-4-nonylphenol?
The InChIKey is NRFRLVJNIMNLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)16(18)11-13(14)2/h11-12,18H,3-10,17H2,1-2H3.
What are the key properties of 2-amino-5-methyl-4-nonylphenol?
2-amino-5-methyl-4-nonylphenol has a molecular weight of 249.40 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-nonylphenol is sourced from PubChem (CID 139643471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).