3-amino-2-decylphenol

C16H27NO — CID 70595254

IUPAC3-amino-2-decylphenol
SMILESCCCCCCCCCCc1c(N)cccc1O
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-11-14-15(17)12-10-13-16(14)18/h10,12-13,18H,2-9,11,17H2,1H3
InChIKeyGWQOVKIIKZQZES-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.66
Rot. Bonds9

About 3-amino-2-decylphenol

3-amino-2-decylphenol (PubChem CID 70595254) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-amino-2-decylphenol.

Molecular Properties

Compound Name3-amino-2-decylphenol
PubChem CID70595254
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-amino-2-decylphenol
SMILESCCCCCCCCCCc1c(N)cccc1O
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-11-14-15(17)12-10-13-16(14)18/h10,12-13,18H,2-9,11,17H2,1H3
InChIKeyGWQOVKIIKZQZES-UHFFFAOYSA-N
XLogP4.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.66
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

2-decylbenzene-1,3-diamine
CID 141061522
2-pentylbenzene-1,3-diol
CID 15007741
2-hexyl-3-methylphenol
CID 28322
2,3-dihexylbenzene-1,4-diamine
CID 18324632
2,3-dihexylbenzene-1,4-diol
CID 69329716
2,3-di(nonadecyl)phenol
CID 151687635
3-dodecyl-2-nonylphenol;phosphorous acid
CID 71149565
3-ethyl-2-octylphenol
CID 66867297
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
3-chloro-2-heptylphenol
CID 71090054
3-amino-2-[(pentylamino)methyl]phenol
CID 69382223

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-decylphenol?
The IUPAC name of 3-amino-2-decylphenol (CID 70595254) is 3-amino-2-decylphenol.
What is the SMILES notation for 3-amino-2-decylphenol?
The canonical SMILES for 3-amino-2-decylphenol is CCCCCCCCCCc1c(N)cccc1O.
What is the InChIKey of 3-amino-2-decylphenol?
The InChIKey is GWQOVKIIKZQZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-11-14-15(17)12-10-13-16(14)18/h10,12-13,18H,2-9,11,17H2,1H3.
What are the key properties of 3-amino-2-decylphenol?
3-amino-2-decylphenol has a molecular weight of 249.40 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-decylphenol is sourced from PubChem (CID 70595254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).