1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol

C16H27NO2 — CID 103784156

IUPAC1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO2/c1-12-8-13(2)10-15(9-12)14(3)17-11-16(4,18)6-7-19-5/h8-10,14,17-18H,6-7,11H2,1-5H3
InChIKeyXVEHFXLUZMGMLY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.74
Rot. Bonds7

About 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol

1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 103784156) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
PubChem CID103784156
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO2/c1-12-8-13(2)10-15(9-12)14(3)17-11-16(4,18)6-7-19-5/h8-10,14,17-18H,6-7,11H2,1-5H3
InChIKeyXVEHFXLUZMGMLY-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol 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-Phenylethyl)amino)ethan-1-ol
CID 14909
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
N-Benzyl-L-alaninol
CID 5356540
(2S)-2-(benzylamino)butan-1-ol
CID 927305
1,3-Propanediol, 2-methyl-2-((phenylmethyl)amino)-, hydrochloride
CID 198738
2-(((1S)-1-phenylethyl)amino)ethan-1-ol
CID 2733847
(2R)-2-(benzylamino)propan-1-ol
CID 7353896
2-(Benzylamino)propane-1,3-diol
CID 14967214
(2-Methoxy-1-methyl-ethyl)-(3-methyl-benzyl)-amine hydrobromide
CID 9549622
2-{[(1R)-1-phenylethyl]amino}ethan-1-ol
CID 6993821
(2-Methoxy-1-methyl-ethyl)-(3-methyl-benzyl)-amine
CID 2852613

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol (CID 103784156) is 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNC(C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is XVEHFXLUZMGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-8-13(2)10-15(9-12)14(3)17-11-16(4,18)6-7-19-5/h8-10,14,17-18H,6-7,11H2,1-5H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol?
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103784156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).