4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol

C15H25NO2 — CID 64570279

IUPAC4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNCC(C)C(C)C)ccc1O
InChIInChI=1S/C15H25NO2/c1-5-18-15-8-13(6-7-14(15)17)10-16-9-12(4)11(2)3/h6-8,11-12,16-17H,5,9-10H2,1-4H3
InChIKeyJGISWEAHNCXUBB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.17
Rot. Bonds7

About 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol

4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol (PubChem CID 64570279) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
PubChem CID64570279
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNCC(C)C(C)C)ccc1O
InChIInChI=1S/C15H25NO2/c1-5-18-15-8-13(6-7-14(15)17)10-16-9-12(4)11(2)3/h6-8,11-12,16-17H,5,9-10H2,1-4H3
InChIKeyJGISWEAHNCXUBB-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol 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-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391
4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 81403520
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 106143749
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol (CID 64570279) is 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol is CCOc1cc(CNCC(C)C(C)C)ccc1O.
What is the InChIKey of 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol?
The InChIKey is JGISWEAHNCXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-18-15-8-13(6-7-14(15)17)10-16-9-12(4)11(2)3/h6-8,11-12,16-17H,5,9-10H2,1-4H3.
What are the key properties of 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol?
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol has a molecular weight of 251.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol is sourced from PubChem (CID 64570279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).