2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol

C15H25NO2 — CID 82982904

IUPAC2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)CCOC(C)C
InChIInChI=1S/C15H25NO2/c1-5-14(13-8-6-7-9-15(13)17)16(4)10-11-18-12(2)3/h6-9,12,14,17H,5,10-11H2,1-4H3
InChIKeyLMDYOGGUDXBHRV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.20
Rot. Bonds7

About 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol

2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol (PubChem CID 82982904) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
PubChem CID82982904
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)CCOC(C)C
InChIInChI=1S/C15H25NO2/c1-5-14(13-8-6-7-9-15(13)17)16(4)10-11-18-12(2)3/h6-9,12,14,17H,5,10-11H2,1-4H3
InChIKeyLMDYOGGUDXBHRV-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol 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

2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81036559
2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol
CID 82978164
4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol
CID 82983452
2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81068114
2-[1-(N,4-dimethylanilino)propyl]phenol
CID 82978560
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
1-(2-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81058667
2-[1-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol?
The IUPAC name of 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol (CID 82982904) is 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol.
What is the SMILES notation for 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol?
The canonical SMILES for 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol is CCC(c1ccccc1O)N(C)CCOC(C)C.
What is the InChIKey of 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol?
The InChIKey is LMDYOGGUDXBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-14(13-8-6-7-9-15(13)17)16(4)10-11-18-12(2)3/h6-9,12,14,17H,5,10-11H2,1-4H3.
What are the key properties of 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol?
2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol is sourced from PubChem (CID 82982904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).