2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol

C15H26N2O — CID 112510446

IUPAC2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CNCCN(C)C)c(C)c1
InChIInChI=1S/C15H26N2O/c1-11-8-12(2)15(13(3)9-11)14(18)10-16-6-7-17(4)5/h8-9,14,16,18H,6-7,10H2,1-5H3
InChIKeyYNPSWMHYWSOFNK-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.80
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol

2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 112510446) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID112510446
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CNCCN(C)C)c(C)c1
InChIInChI=1S/C15H26N2O/c1-11-8-12(2)15(13(3)9-11)14(18)10-16-6-7-17(4)5/h8-9,14,16,18H,6-7,10H2,1-5H3
InChIKeyYNPSWMHYWSOFNK-UHFFFAOYSA-N
XLogP1.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
CID 112501466
2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82112148
2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 82314891
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 82313283
3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
CID 82315821
1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
CID 82315854
2-(2-methylanilino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82123675
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116
2-[2-(dimethylamino)ethylamino]-1-(4-nitrophenyl)ethanol
CID 78914202
2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 112510879
3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
CID 82315649

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol (CID 112510446) is 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CNCCN(C)C)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is YNPSWMHYWSOFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-8-12(2)15(13(3)9-11)14(18)10-16-6-7-17(4)5/h8-9,14,16,18H,6-7,10H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol?
2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 250.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 112510446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).