(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine

C11H17NO — CID 55291597

IUPAC(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1cccc(C)c1C
InChIInChI=1S/C11H17NO/c1-8-5-4-6-10(9(8)2)11(12)7-13-3/h4-6,11H,7,12H2,1-3H3/t11-/m0/s1
InChIKeyOWACJERFBIRHOJ-NSHDSACASA-N
MW179.26 g/mol
LogP1.95
Rot. Bonds3

About (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine

(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine (PubChem CID 55291597) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
PubChem CID55291597
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1cccc(C)c1C
InChIInChI=1S/C11H17NO/c1-8-5-4-6-10(9(8)2)11(12)7-13-3/h4-6,11H,7,12H2,1-3H3/t11-/m0/s1
InChIKeyOWACJERFBIRHOJ-NSHDSACASA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927761
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline
CID 130914275
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
1-(2-bromo-3-iodophenyl)-2-methoxyethanamine
CID 130043791

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine?
The IUPAC name of (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine (CID 55291597) is (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine.
What is the SMILES notation for (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine?
The canonical SMILES for (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine is COC[C@H](N)c1cccc(C)c1C.
What is the InChIKey of (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine?
The InChIKey is OWACJERFBIRHOJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-4-6-10(9(8)2)11(12)7-13-3/h4-6,11H,7,12H2,1-3H3/t11-/m0/s1.
What are the key properties of (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine?
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine has a molecular weight of 179.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine is sourced from PubChem (CID 55291597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).