2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol

C14H23NO2 — CID 111112626

IUPAC2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol
SMILESCOc1c(C)cc(CNC(C)(C)CO)cc1C
InChIInChI=1S/C14H23NO2/c1-10-6-12(7-11(2)13(10)17-5)8-15-14(3,4)9-16/h6-7,15-16H,8-9H2,1-5H3
InChIKeyBVNAALZNLJFYHF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.17
Rot. Bonds5

About 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol

2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 111112626) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol
PubChem CID111112626
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol
SMILESCOc1c(C)cc(CNC(C)(C)CO)cc1C
InChIInChI=1S/C14H23NO2/c1-10-6-12(7-11(2)13(10)17-5)8-15-14(3,4)9-16/h6-7,15-16H,8-9H2,1-5H3
InChIKeyBVNAALZNLJFYHF-UHFFFAOYSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
CID 84597784
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 63050676
3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propan-1-ol
CID 63061499
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094
2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol
CID 115133367
3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
CID 115134064
3-[(4-methoxy-3,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122151
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
2-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropan-1-ol
CID 114936372
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol (CID 111112626) is 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol is COc1c(C)cc(CNC(C)(C)CO)cc1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is BVNAALZNLJFYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-6-12(7-11(2)13(10)17-5)8-15-14(3,4)9-16/h6-7,15-16H,8-9H2,1-5H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol?
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 111112626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).