2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol

C12H19NO — CID 117284183

IUPAC2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
SMILESCc1cc(C(O)CN)c(C)c(C)c1C
InChIInChI=1S/C12H19NO/c1-7-5-11(12(14)6-13)10(4)9(3)8(7)2/h5,12,14H,6,13H2,1-4H3
InChIKeyVWSZCRFPOJQHMU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.91
Rot. Bonds2

About 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol

2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol (PubChem CID 117284183) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
PubChem CID117284183
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
SMILESCc1cc(C(O)CN)c(C)c(C)c1C
InChIInChI=1S/C12H19NO/c1-7-5-11(12(14)6-13)10(4)9(3)8(7)2/h5,12,14H,6,13H2,1-4H3
InChIKeyVWSZCRFPOJQHMU-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,4,5-tetramethylphenyl)propan-1-amine
CID 117282734
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
1-(dichloromethyl)-2,3,4,5-tetramethylbenzene
CID 154150593
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
CID 84769063
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
CID 84776533
6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 83886888
2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
CID 84775613
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol?
The IUPAC name of 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol (CID 117284183) is 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol is Cc1cc(C(O)CN)c(C)c(C)c1C.
What is the InChIKey of 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol?
The InChIKey is VWSZCRFPOJQHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-5-11(12(14)6-13)10(4)9(3)8(7)2/h5,12,14H,6,13H2,1-4H3.
What are the key properties of 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol?
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol has a molecular weight of 193.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol is sourced from PubChem (CID 117284183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).