5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol

C17H21NO2 — CID 82978542

IUPAC5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
SMILESCOc1ccc(CN(C)c2cc(C)cc(C)c2)c(O)c1
InChIInChI=1S/C17H21NO2/c1-12-7-13(2)9-15(8-12)18(3)11-14-5-6-16(20-4)10-17(14)19/h5-10,19H,11H2,1-4H3
InChIKeyWQRXIMQCUBIOCQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.65
Rot. Bonds4

About 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol

5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol (PubChem CID 82978542) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
PubChem CID82978542
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
SMILESCOc1ccc(CN(C)c2cc(C)cc(C)c2)c(O)c1
InChIInChI=1S/C17H21NO2/c1-12-7-13(2)9-15(8-12)18(3)11-14-5-6-16(20-4)10-17(14)19/h5-10,19H,11H2,1-4H3
InChIKeyWQRXIMQCUBIOCQ-UHFFFAOYSA-N
XLogP3.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.65
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

5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
4-chloro-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978606
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 82110242
4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol
CID 104667284
2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977637
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol (CID 82978542) is 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol is COc1ccc(CN(C)c2cc(C)cc(C)c2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol?
The InChIKey is WQRXIMQCUBIOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-7-13(2)9-15(8-12)18(3)11-14-5-6-16(20-4)10-17(14)19/h5-10,19H,11H2,1-4H3.
What are the key properties of 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol?
5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol is sourced from PubChem (CID 82978542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).