4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol

C12H19NO2 — CID 105425938

IUPAC4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
SMILESCNCC(C)(C)c1cc(O)ccc1OC
InChIInChI=1S/C12H19NO2/c1-12(2,8-13-3)10-7-9(14)5-6-11(10)15-4/h5-7,13-14H,8H2,1-4H3
InChIKeyYIZKTXYLBXXOBM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds4

About 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol

4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol (PubChem CID 105425938) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
PubChem CID105425938
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
SMILESCNCC(C)(C)c1cc(O)ccc1OC
InChIInChI=1S/C12H19NO2/c1-12(2,8-13-3)10-7-9(14)5-6-11(10)15-4/h5-7,13-14H,8H2,1-4H3
InChIKeyYIZKTXYLBXXOBM-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
CID 105425939
4-methoxy-3-(methylaminomethyl)phenol
CID 84731678
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol
CID 105425995
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
CID 115216511
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133750
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N-ethyl-2-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-amine
CID 112518134
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
4-methoxy-3-[3-(methylamino)propyl]phenol
CID 84733265

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol?
The IUPAC name of 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol (CID 105425938) is 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol.
What is the SMILES notation for 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol?
The canonical SMILES for 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol is CNCC(C)(C)c1cc(O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol?
The InChIKey is YIZKTXYLBXXOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,8-13-3)10-7-9(14)5-6-11(10)15-4/h5-7,13-14H,8H2,1-4H3.
What are the key properties of 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol?
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol is sourced from PubChem (CID 105425938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).