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

C17H30N2O — CID 43504787

IUPAC2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCC(CC(C)C)N(C)C)c1
InChIInChI=1S/C17H30N2O/c1-12(2)9-15(19(5)6)11-18-14(4)16-10-13(3)7-8-17(16)20/h7-8,10,12,14-15,18,20H,9,11H2,1-6H3
InChIKeyXSDLGLHHZRZPBL-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.33
Rot. Bonds7

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

2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol (PubChem CID 43504787) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
PubChem CID43504787
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCC(CC(C)C)N(C)C)c1
InChIInChI=1S/C17H30N2O/c1-12(2)9-15(19(5)6)11-18-14(4)16-10-13(3)7-8-17(16)20/h7-8,10,12,14-15,18,20H,9,11H2,1-6H3
InChIKeyXSDLGLHHZRZPBL-UHFFFAOYSA-N
XLogP3.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-hydroxy-5-methylphenyl)ethylamino]propane-1,2-diol
CID 66175463
2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
CID 102696431
5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
CID 107705372
2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol
CID 43504729
2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675117
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
CID 54913339
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol
CID 104584185
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol (CID 43504787) is 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)NCC(CC(C)C)N(C)C)c1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol?
The InChIKey is XSDLGLHHZRZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)9-15(19(5)6)11-18-14(4)16-10-13(3)7-8-17(16)20/h7-8,10,12,14-15,18,20H,9,11H2,1-6H3.
What are the key properties of 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol?
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol has a molecular weight of 278.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol is sourced from PubChem (CID 43504787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).