6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline

C11H18N2O — CID 130914275

IUPAC6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline
SMILESCOC[C@H](N)c1ccc(C)c(C)c1N
InChIInChI=1S/C11H18N2O/c1-7-4-5-9(10(12)6-14-3)11(13)8(7)2/h4-5,10H,6,12-13H2,1-3H3/t10-/m0/s1
InChIKeyJICMZLDXBXLSJO-JTQLQIEISA-N
MW194.28 g/mol
LogP1.53
Rot. Bonds3

About 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline

6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline (PubChem CID 130914275) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline.

Molecular Properties

Compound Name6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline
PubChem CID130914275
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline
SMILESCOC[C@H](N)c1ccc(C)c(C)c1N
InChIInChI=1S/C11H18N2O/c1-7-4-5-9(10(12)6-14-3)11(13)8(7)2/h4-5,10H,6,12-13H2,1-3H3/t10-/m0/s1
InChIKeyJICMZLDXBXLSJO-JTQLQIEISA-N
XLogP1.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine
CID 55294133
(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
5-(1-amino-2-methoxyethyl)-2-methylaniline
CID 55293794
2-(1-amino-2-methoxyethyl)-5-bromoaniline
CID 130043001
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
CID 55293424
2,3,6-trimethylaniline
CID 11958947
4-amino-2-(1-amino-2-methoxyethyl)phenol
CID 55294234
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
3-[(1S)-1-amino-2-methoxyethyl]-1H-pyridine-2-thione
CID 55294327
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline?
The IUPAC name of 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline (CID 130914275) is 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline.
What is the SMILES notation for 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline?
The canonical SMILES for 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline is COC[C@H](N)c1ccc(C)c(C)c1N.
What is the InChIKey of 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline?
The InChIKey is JICMZLDXBXLSJO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-4-5-9(10(12)6-14-3)11(13)8(7)2/h4-5,10H,6,12-13H2,1-3H3/t10-/m0/s1.
What are the key properties of 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline?
6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline has a molecular weight of 194.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline is sourced from PubChem (CID 130914275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).