4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol

C17H21NO3 — CID 106954005

IUPAC4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
SMILESCOc1cc(CNc2cc(C)c(O)cc2C)cc(OC)c1
InChIInChI=1S/C17H21NO3/c1-11-6-17(19)12(2)5-16(11)18-10-13-7-14(20-3)9-15(8-13)21-4/h5-9,18-19H,10H2,1-4H3
InChIKeyMLCJDLSBGWDJEQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.64
Rot. Bonds5

About 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol

4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol (PubChem CID 106954005) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
PubChem CID106954005
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
SMILESCOc1cc(CNc2cc(C)c(O)cc2C)cc(OC)c1
InChIInChI=1S/C17H21NO3/c1-11-6-17(19)12(2)5-16(11)18-10-13-7-14(20-3)9-15(8-13)21-4/h5-9,18-19H,10H2,1-4H3
InChIKeyMLCJDLSBGWDJEQ-UHFFFAOYSA-N
XLogP3.64
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953832
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953697
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 29040909
3,5-dimethoxyphenol;(4-hydroxy-2,5-dimethylanilino) thiohypoiodite
CID 145310097
4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954073
4-(furan-3-ylmethylamino)-2,5-dimethylphenol
CID 106954030
4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
CID 106953737
4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethylphenol
CID 106953607
4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-2,5-dimethylphenol
CID 106953819
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625831

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol?
The IUPAC name of 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol (CID 106954005) is 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol?
The canonical SMILES for 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol is COc1cc(CNc2cc(C)c(O)cc2C)cc(OC)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol?
The InChIKey is MLCJDLSBGWDJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-6-17(19)12(2)5-16(11)18-10-13-7-14(20-3)9-15(8-13)21-4/h5-9,18-19H,10H2,1-4H3.
What are the key properties of 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol?
4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol has a molecular weight of 287.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol is sourced from PubChem (CID 106954005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).