1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol

C13H21NO — CID 82048718

IUPAC1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCCC(O)(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H21NO/c1-5-13(15,8-14)12-10(3)6-9(2)7-11(12)4/h6-7,15H,5,8,14H2,1-4H3
InChIKeyITNKXMKJTDNCHN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.17
Rot. Bonds3

About 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol

1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 82048718) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID82048718
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCCC(O)(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H21NO/c1-5-13(15,8-14)12-10(3)6-9(2)7-11(12)4/h6-7,15H,5,8,14H2,1-4H3
InChIKeyITNKXMKJTDNCHN-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2,4-dimethylphenyl)butan-2-ol
CID 79002052
2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656781
2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 112566026
3-(aminomethyl)-3-ethyl-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116603890
1-(ethylamino)-2-(2,4,6-trimethylphenyl)propan-2-ol
CID 62773393
2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
CID 116853499
N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 63764973
methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate
CID 62395638
ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate
CID 66321481
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
CID 79138441
2,2-dimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65301160

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol (CID 82048718) is 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol is CCC(O)(CN)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is ITNKXMKJTDNCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(15,8-14)12-10(3)6-9(2)7-11(12)4/h6-7,15H,5,8,14H2,1-4H3.
What are the key properties of 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol?
1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 82048718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).