[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium

C11H18NO2+ — CID 6921093

IUPAC[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium
SMILESC[NH2+][C@H](C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H17NO2/c1-8(12-2)9-5-6-10(13-3)11(7-9)14-4/h5-8,12H,1-4H3/p+1/t8-/m1/s1
InChIKeyOVAURWWPGDNSAN-MRVPVSSYSA-O
MW196.27 g/mol
LogP0.96
Rot. Bonds4

About [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium

[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium (PubChem CID 6921093) has the molecular formula C11H18NO2+ and a molecular weight of 196.27 g/mol. Its IUPAC name is [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium
PubChem CID6921093
Molecular FormulaC11H18NO2+
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium
SMILESC[NH2+][C@H](C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H17NO2/c1-8(12-2)9-5-6-10(13-3)11(7-9)14-4/h5-8,12H,1-4H3/p+1/t8-/m1/s1
InChIKeyOVAURWWPGDNSAN-MRVPVSSYSA-O
XLogP0.96
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
4-[1-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diol
CID 174965052
[1-(3,4-dimethoxyphenyl)-3-methylbutyl]azanium
CID 23378141
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The IUPAC name of [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium (CID 6921093) is [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium.
What is the SMILES notation for [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The canonical SMILES for [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium is C[NH2+][C@H](C)c1ccc(OC)c(OC)c1.
What is the InChIKey of [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The InChIKey is OVAURWWPGDNSAN-MRVPVSSYSA-O. The full InChI is InChI=1S/C11H17NO2/c1-8(12-2)9-5-6-10(13-3)11(7-9)14-4/h5-8,12H,1-4H3/p+1/t8-/m1/s1.
What are the key properties of [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium has a molecular weight of 196.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium is sourced from PubChem (CID 6921093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).