2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol

C15H26N2O — CID 43504729

IUPAC2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCC(C)(C)N(C)C)c1
InChIInChI=1S/C15H26N2O/c1-11-7-8-14(18)13(9-11)12(2)16-10-15(3,4)17(5)6/h7-9,12,16,18H,10H2,1-6H3
InChIKeySIHZXSMOPBSJCX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds5

About 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol

2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol (PubChem CID 43504729) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol
PubChem CID43504729
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCC(C)(C)N(C)C)c1
InChIInChI=1S/C15H26N2O/c1-11-7-8-14(18)13(9-11)12(2)16-10-15(3,4)17(5)6/h7-9,12,16,18H,10H2,1-6H3
InChIKeySIHZXSMOPBSJCX-UHFFFAOYSA-N
XLogP2.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
CID 43504787
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
CID 102696431
3-[1-(2-hydroxy-5-methylphenyl)ethylamino]propane-1,2-diol
CID 66175463
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
CID 43203138
2-[1-[(4-hydroxy-2,2-dimethylbutyl)amino]ethyl]benzene-1,4-diol
CID 106143682
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol (CID 43504729) is 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)NCC(C)(C)N(C)C)c1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol?
The InChIKey is SIHZXSMOPBSJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-7-8-14(18)13(9-11)12(2)16-10-15(3,4)17(5)6/h7-9,12,16,18H,10H2,1-6H3.
What are the key properties of 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol?
2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol has a molecular weight of 250.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol is sourced from PubChem (CID 43504729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).