2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol

C14H23NO2 — CID 116835551

IUPAC2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
SMILESCNCC(CO)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C14H23NO2/c1-9-6-13(17-5)10(2)11(3)14(9)12(8-16)7-15-4/h6,12,15-16H,7-8H2,1-5H3
InChIKeyZNZUBRDKOPJTPQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.92
Rot. Bonds5

About 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol

2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol (PubChem CID 116835551) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
PubChem CID116835551
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
SMILESCNCC(CO)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C14H23NO2/c1-9-6-13(17-5)10(2)11(3)14(9)12(8-16)7-15-4/h6,12,15-16H,7-8H2,1-5H3
InChIKeyZNZUBRDKOPJTPQ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxy-2,3,6-trimethylphenyl)octan-3-one
CID 83939309
3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol
CID 83939317
3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
CID 116835502
2-(2-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 117243856
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176
1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948793
1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831668
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 116835544

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol (CID 116835551) is 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol is CNCC(CO)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is ZNZUBRDKOPJTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-6-13(17-5)10(2)11(3)14(9)12(8-16)7-15-4/h6,12,15-16H,7-8H2,1-5H3.
What are the key properties of 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol?
2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 116835551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).