2-methoxy-5-(3-methylbutan-2-ylamino)phenol

C12H19NO2 — CID 43743784

IUPAC2-methoxy-5-(3-methylbutan-2-ylamino)phenol
SMILESCOc1ccc(NC(C)C(C)C)cc1O
InChIInChI=1S/C12H19NO2/c1-8(2)9(3)13-10-5-6-12(15-4)11(14)7-10/h5-9,13-14H,1-4H3
InChIKeyZLOYIXMWJQJYMR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.86
Rot. Bonds4

About 2-methoxy-5-(3-methylbutan-2-ylamino)phenol

2-methoxy-5-(3-methylbutan-2-ylamino)phenol (PubChem CID 43743784) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methoxy-5-(3-methylbutan-2-ylamino)phenol.

Molecular Properties

Compound Name2-methoxy-5-(3-methylbutan-2-ylamino)phenol
PubChem CID43743784
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-methoxy-5-(3-methylbutan-2-ylamino)phenol
SMILESCOc1ccc(NC(C)C(C)C)cc1O
InChIInChI=1S/C12H19NO2/c1-8(2)9(3)13-10-5-6-12(15-4)11(14)7-10/h5-9,13-14H,1-4H3
InChIKeyZLOYIXMWJQJYMR-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-methoxy-5-(3-methylbutan-2-ylamino)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

4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
CID 107270569
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol
CID 43743593
2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
CID 43743729
2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
CID 62090337
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
5-(ethylamino)-2-methoxyphenol
CID 43743866
2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
CID 43743777
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
CID 43743616
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
CID 43790697
3-fluoro-4-methoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917448
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
CID 43743809
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 43710840

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methylbutan-2-ylamino)phenol?
The IUPAC name of 2-methoxy-5-(3-methylbutan-2-ylamino)phenol (CID 43743784) is 2-methoxy-5-(3-methylbutan-2-ylamino)phenol.
What is the SMILES notation for 2-methoxy-5-(3-methylbutan-2-ylamino)phenol?
The canonical SMILES for 2-methoxy-5-(3-methylbutan-2-ylamino)phenol is COc1ccc(NC(C)C(C)C)cc1O.
What is the InChIKey of 2-methoxy-5-(3-methylbutan-2-ylamino)phenol?
The InChIKey is ZLOYIXMWJQJYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)9(3)13-10-5-6-12(15-4)11(14)7-10/h5-9,13-14H,1-4H3.
What are the key properties of 2-methoxy-5-(3-methylbutan-2-ylamino)phenol?
2-methoxy-5-(3-methylbutan-2-ylamino)phenol has a molecular weight of 209.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methylbutan-2-ylamino)phenol is sourced from PubChem (CID 43743784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).