2-amino-2-(3,5-dimethylphenyl)ethanol

C10H15NO — CID 60756661

IUPAC2-amino-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(N)CO)c1
InChIInChI=1S/C10H15NO/c1-7-3-8(2)5-9(4-7)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3
InChIKeyWZFVOURVLDLEGP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.30
Rot. Bonds2

About 2-amino-2-(3,5-dimethylphenyl)ethanol

2-amino-2-(3,5-dimethylphenyl)ethanol (PubChem CID 60756661) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethylphenyl)ethanol
PubChem CID60756661
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-amino-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(N)CO)c1
InChIInChI=1S/C10H15NO/c1-7-3-8(2)5-9(4-7)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3
InChIKeyWZFVOURVLDLEGP-UHFFFAOYSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-amino-2-hydroxyethyl)-5-methylphenol
CID 84765201
(2R)-2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 66515636
2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 77130523
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
CID 131096191
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
CID 104554566
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
2-amino-2-(3,5-diiodophenyl)ethanol
CID 130000796
4-[(1R)-1-amino-2-hydroxyethyl]-2,6-dimethylbenzonitrile
CID 130668278
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate
CID 78974740
1-(3,5-dimethylphenyl)-5-methylhexan-1-amine
CID 105028512
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3,5-dimethylphenyl)ethanol (CID 60756661) is 2-amino-2-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(C(N)CO)c1.
What is the InChIKey of 2-amino-2-(3,5-dimethylphenyl)ethanol?
The InChIKey is WZFVOURVLDLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-8(2)5-9(4-7)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3.
What are the key properties of 2-amino-2-(3,5-dimethylphenyl)ethanol?
2-amino-2-(3,5-dimethylphenyl)ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 60756661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).