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

C14H23NO2 — CID 116952888

IUPAC3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H23NO2/c1-9-8-10(2)13(12(15-4)6-7-16)14(17-5)11(9)3/h8,12,15-16H,6-7H2,1-5H3
InChIKeyBBEAVTOEHRPRAE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.26
Rot. Bonds5

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

3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol (PubChem CID 116952888) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
PubChem CID116952888
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H23NO2/c1-9-8-10(2)13(12(15-4)6-7-16)14(17-5)11(9)3/h8,12,15-16H,6-7H2,1-5H3
InChIKeyBBEAVTOEHRPRAE-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanethiol
CID 116830729
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051
1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
CID 116861375
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116957436
3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 83938573
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
3-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512927

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol (CID 116952888) is 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol is CNC(CCO)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is BBEAVTOEHRPRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-8-10(2)13(12(15-4)6-7-16)14(17-5)11(9)3/h8,12,15-16H,6-7H2,1-5H3.
What are the key properties of 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol?
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 116952888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).