2-[10-(didecylamino)decyl]phenol

C36H67NO — CID 151886880

IUPAC2-[10-(didecylamino)decyl]phenol
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCCc1ccccc1O
InChIInChI=1S/C36H67NO/c1-3-5-7-9-11-16-20-26-32-37(33-27-21-17-12-10-8-6-4-2)34-28-22-18-14-13-15-19-23-29-35-30-24-25-31-36(35)38/h24-25,30-31,38H,3-23,26-29,32-34H2,1-2H3
InChIKeySPWWXJYXWQAZKX-UHFFFAOYSA-N
MW529.94 g/mol
LogP11.64
Rot. Bonds29

About 2-[10-(didecylamino)decyl]phenol

2-[10-(didecylamino)decyl]phenol (PubChem CID 151886880) has the molecular formula C36H67NO and a molecular weight of 529.94 g/mol. Its IUPAC name is 2-[10-(didecylamino)decyl]phenol.

Molecular Properties

Compound Name2-[10-(didecylamino)decyl]phenol
PubChem CID151886880
Molecular FormulaC36H67NO
Molecular Weight529.94 g/mol
Exact Mass529.52
IUPAC Name2-[10-(didecylamino)decyl]phenol
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCCc1ccccc1O
InChIInChI=1S/C36H67NO/c1-3-5-7-9-11-16-20-26-32-37(33-27-21-17-12-10-8-6-4-2)34-28-22-18-14-13-15-19-23-29-35-30-24-25-31-36(35)38/h24-25,30-31,38H,3-23,26-29,32-34H2,1-2H3
InChIKeySPWWXJYXWQAZKX-UHFFFAOYSA-N
XLogP11.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.94
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of 2-[10-(didecylamino)decyl]phenol?
The IUPAC name of 2-[10-(didecylamino)decyl]phenol (CID 151886880) is 2-[10-(didecylamino)decyl]phenol.
What is the SMILES notation for 2-[10-(didecylamino)decyl]phenol?
The canonical SMILES for 2-[10-(didecylamino)decyl]phenol is CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCCc1ccccc1O.
What is the InChIKey of 2-[10-(didecylamino)decyl]phenol?
The InChIKey is SPWWXJYXWQAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67NO/c1-3-5-7-9-11-16-20-26-32-37(33-27-21-17-12-10-8-6-4-2)34-28-22-18-14-13-15-19-23-29-35-30-24-25-31-36(35)38/h24-25,30-31,38H,3-23,26-29,32-34H2,1-2H3.
What are the key properties of 2-[10-(didecylamino)decyl]phenol?
2-[10-(didecylamino)decyl]phenol has a molecular weight of 529.94 g/mol, XLogP of 11.64, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(didecylamino)decyl]phenol is sourced from PubChem (CID 151886880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).