2-(dimethylamino)-4-methyl-3-nonylphenol

C18H31NO — CID 19906462

IUPAC2-(dimethylamino)-4-methyl-3-nonylphenol
SMILESCCCCCCCCCc1c(C)ccc(O)c1N(C)C
InChIInChI=1S/C18H31NO/c1-5-6-7-8-9-10-11-12-16-15(2)13-14-17(20)18(16)19(3)4/h13-14,20H,5-12H2,1-4H3
InChIKeyVASQQXNWVXUFTR-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.06
Rot. Bonds9

About 2-(dimethylamino)-4-methyl-3-nonylphenol

2-(dimethylamino)-4-methyl-3-nonylphenol (PubChem CID 19906462) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-3-nonylphenol.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-3-nonylphenol
PubChem CID19906462
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(dimethylamino)-4-methyl-3-nonylphenol
SMILESCCCCCCCCCc1c(C)ccc(O)c1N(C)C
InChIInChI=1S/C18H31NO/c1-5-6-7-8-9-10-11-12-16-15(2)13-14-17(20)18(16)19(3)4/h13-14,20H,5-12H2,1-4H3
InChIKeyVASQQXNWVXUFTR-UHFFFAOYSA-N
XLogP5.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.06
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

3-ethyl-4-methyl-2-nonylphenol
CID 66865942
2-heptyl-4-methyl-3-propylphenol
CID 66865859
2,3-dihexylbenzene-1,4-diol
CID 69329716
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498
2-hexyl-3-methylphenol
CID 28322
3,4-diheptyl-2-hexylphenol
CID 66866250
2-methyl-3-octylbenzene-1,4-diol
CID 67742656
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
2-chloro-3-dodecylbenzene-1,4-diol
CID 54013851

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-3-nonylphenol?
The IUPAC name of 2-(dimethylamino)-4-methyl-3-nonylphenol (CID 19906462) is 2-(dimethylamino)-4-methyl-3-nonylphenol.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-3-nonylphenol?
The canonical SMILES for 2-(dimethylamino)-4-methyl-3-nonylphenol is CCCCCCCCCc1c(C)ccc(O)c1N(C)C.
What is the InChIKey of 2-(dimethylamino)-4-methyl-3-nonylphenol?
The InChIKey is VASQQXNWVXUFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-6-7-8-9-10-11-12-16-15(2)13-14-17(20)18(16)19(3)4/h13-14,20H,5-12H2,1-4H3.
What are the key properties of 2-(dimethylamino)-4-methyl-3-nonylphenol?
2-(dimethylamino)-4-methyl-3-nonylphenol has a molecular weight of 277.45 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-3-nonylphenol is sourced from PubChem (CID 19906462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).