3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol

C14H23NO3 — CID 116952894

IUPAC3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C14H23NO3/c1-9-10(2)14(18-5)11(8-13(9)17-4)12(15-3)6-7-16/h8,12,15-16H,6-7H2,1-5H3
InChIKeyNSBNFPBIHLNTFD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.96
Rot. Bonds6

About 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol

3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol (PubChem CID 116952894) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
PubChem CID116952894
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C14H23NO3/c1-9-10(2)14(18-5)11(8-13(9)17-4)12(15-3)6-7-16/h8,12,15-16H,6-7H2,1-5H3
InChIKeyNSBNFPBIHLNTFD-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
CID 83943179
(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
CID 116954760
3-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512927
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
CID 83921064
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
CID 116964458
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine
CID 116855775
3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 83938573
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-methylacetamide
CID 116850472
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
CID 43626705

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol (CID 116952894) is 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol is CNC(CCO)c1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is NSBNFPBIHLNTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-10(2)14(18-5)11(8-13(9)17-4)12(15-3)6-7-16/h8,12,15-16H,6-7H2,1-5H3.
What are the key properties of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol?
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 116952894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).