2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol

C13H21NO2 — CID 112554372

IUPAC2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol
SMILESCOCC(C)CNCc1cccc(C)c1O
InChIInChI=1S/C13H21NO2/c1-10(9-16-3)7-14-8-12-6-4-5-11(2)13(12)15/h4-6,10,14-15H,7-9H2,1-3H3
InChIKeyZHZMAPBXFGHLQV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds6

About 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol

2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol (PubChem CID 112554372) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol
PubChem CID112554372
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol
SMILESCOCC(C)CNCc1cccc(C)c1O
InChIInChI=1S/C13H21NO2/c1-10(9-16-3)7-14-8-12-6-4-5-11(2)13(12)15/h4-6,10,14-15H,7-9H2,1-3H3
InChIKeyZHZMAPBXFGHLQV-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(3-methoxy-2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 115461875
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736
2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol
CID 102673408
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 107349107
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
CID 112554384
2-(butylaminomethyl)-6-methylphenol
CID 82669937
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
methyl 2-[(2-hydroxy-3-methylphenyl)methylamino]-4-methylpentanoate
CID 112606468
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
2-bromo-6-[(2-methoxypropylamino)methyl]phenol
CID 102696044

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol?
The IUPAC name of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol (CID 112554372) is 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol is COCC(C)CNCc1cccc(C)c1O.
What is the InChIKey of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol?
The InChIKey is ZHZMAPBXFGHLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-16-3)7-14-8-12-6-4-5-11(2)13(12)15/h4-6,10,14-15H,7-9H2,1-3H3.
What are the key properties of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol?
2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol has a molecular weight of 223.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol is sourced from PubChem (CID 112554372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).