2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol

C11H17NO2 — CID 77129776

IUPAC2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C)cc1C(N)CO
InChIInChI=1S/C11H17NO2/c1-7-4-9(10(12)6-13)11(14-3)5-8(7)2/h4-5,10,13H,6,12H2,1-3H3
InChIKeyKDFMZSGPXPNLST-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol

2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol (PubChem CID 77129776) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
PubChem CID77129776
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C)cc1C(N)CO
InChIInChI=1S/C11H17NO2/c1-7-4-9(10(12)6-13)11(14-3)5-8(7)2/h4-5,10,13H,6,12H2,1-3H3
InChIKeyKDFMZSGPXPNLST-UHFFFAOYSA-N
XLogP1.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-[(1S)-1-amino-2-hydroxyethyl]-4-methoxy-5-methylphenol
CID 55277131
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol (CID 77129776) is 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol is COc1cc(C)c(C)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol?
The InChIKey is KDFMZSGPXPNLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-9(10(12)6-13)11(14-3)5-8(7)2/h4-5,10,13H,6,12H2,1-3H3.
What are the key properties of 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol?
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol has a molecular weight of 195.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol is sourced from PubChem (CID 77129776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).