2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol

C14H23NO2 — CID 64569461

IUPAC2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNCC(C)C(C)C)c1O
InChIInChI=1S/C14H23NO2/c1-10(2)11(3)8-15-9-12-6-5-7-13(17-4)14(12)16/h5-7,10-11,15-16H,8-9H2,1-4H3
InChIKeyIWRPGYUGYYABKR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.78
Rot. Bonds6

About 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol

2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol (PubChem CID 64569461) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
PubChem CID64569461
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNCC(C)C(C)C)c1O
InChIInChI=1S/C14H23NO2/c1-10(2)11(3)8-15-9-12-6-5-7-13(17-4)14(12)16/h5-7,10-11,15-16H,8-9H2,1-4H3
InChIKeyIWRPGYUGYYABKR-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.78
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

N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
CID 115764164
2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
CID 107267707
2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
CID 43202369
3-[(2-hydroxy-3-methoxyphenyl)methylamino]propanenitrile
CID 28728331
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-methoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701806
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-methoxy-6-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632548

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol (CID 64569461) is 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol is COc1cccc(CNCC(C)C(C)C)c1O.
What is the InChIKey of 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol?
The InChIKey is IWRPGYUGYYABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)11(3)8-15-9-12-6-5-7-13(17-4)14(12)16/h5-7,10-11,15-16H,8-9H2,1-4H3.
What are the key properties of 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol?
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol has a molecular weight of 237.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 64569461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).