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

C15H25NO2 — CID 82983452

IUPAC4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CCOC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-11(2)18-9-8-16(5)13(4)14-10-12(3)6-7-15(14)17/h6-7,10-11,13,17H,8-9H2,1-5H3
InChIKeyIDOORFDBWJEOGM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.12
Rot. Bonds6

About 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol

4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol (PubChem CID 82983452) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol
PubChem CID82983452
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)N(C)CCOC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-11(2)18-9-8-16(5)13(4)14-10-12(3)6-7-15(14)17/h6-7,10-11,13,17H,8-9H2,1-5H3
InChIKeyIDOORFDBWJEOGM-UHFFFAOYSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-4-methylphenol
CID 79645093
4-methyl-2-[1-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]phenol
CID 82979913
2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
CID 82982904
4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol
CID 82985809
3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400828
4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
CID 82978827
4-methyl-2-[1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]phenol
CID 82980214
4-bromo-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82979584
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
CID 82981354

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol (CID 82983452) is 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol is Cc1ccc(O)c(C(C)N(C)CCOC(C)C)c1.
What is the InChIKey of 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol?
The InChIKey is IDOORFDBWJEOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)18-9-8-16(5)13(4)14-10-12(3)6-7-15(14)17/h6-7,10-11,13,17H,8-9H2,1-5H3.
What are the key properties of 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol?
4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[methyl(2-propan-2-yloxyethyl)amino]ethyl]phenol is sourced from PubChem (CID 82983452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).