(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol

C11H17NO — CID 93471271

IUPAC(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1ccc(C)c(C)c1
InChIInChI=1S/C11H17NO/c1-8-4-5-10(6-9(8)2)11(7-13)12-3/h4-6,11-13H,7H2,1-3H3/t11-/m0/s1
InChIKeyKGPPRSOEKCNDJJ-NSHDSACASA-N
MW179.26 g/mol
LogP1.56
Rot. Bonds3

About (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol

(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol (PubChem CID 93471271) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
PubChem CID93471271
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1ccc(C)c(C)c1
InChIInChI=1S/C11H17NO/c1-8-4-5-10(6-9(8)2)11(7-13)12-3/h4-6,11-13H,7H2,1-3H3/t11-/m0/s1
InChIKeyKGPPRSOEKCNDJJ-NSHDSACASA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 63416604
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 63476117
(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol
CID 130740818
2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethanol
CID 115563179
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
2-(3,4-dimethylphenyl)-2-hydroperoxyethanol
CID 134856299

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol?
The IUPAC name of (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol (CID 93471271) is (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol is CN[C@@H](CO)c1ccc(C)c(C)c1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol?
The InChIKey is KGPPRSOEKCNDJJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-5-10(6-9(8)2)11(7-13)12-3/h4-6,11-13H,7H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol?
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 93471271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).