1-amino-2-(2,4-dimethylphenyl)butan-2-ol

C12H19NO — CID 79002052

IUPAC1-amino-2-(2,4-dimethylphenyl)butan-2-ol
SMILESCCC(O)(CN)c1ccc(C)cc1C
InChIInChI=1S/C12H19NO/c1-4-12(14,8-13)11-6-5-9(2)7-10(11)3/h5-7,14H,4,8,13H2,1-3H3
InChIKeyWTNZUMNUOPWNFX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.86
Rot. Bonds3

About 1-amino-2-(2,4-dimethylphenyl)butan-2-ol

1-amino-2-(2,4-dimethylphenyl)butan-2-ol (PubChem CID 79002052) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-amino-2-(2,4-dimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-(2,4-dimethylphenyl)butan-2-ol
PubChem CID79002052
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-amino-2-(2,4-dimethylphenyl)butan-2-ol
SMILESCCC(O)(CN)c1ccc(C)cc1C
InChIInChI=1S/C12H19NO/c1-4-12(14,8-13)11-6-5-9(2)7-10(11)3/h5-7,14H,4,8,13H2,1-3H3
InChIKeyWTNZUMNUOPWNFX-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol
CID 82048718
1-(1,1-difluoropropyl)-2,4-dimethylbenzene
CID 116841228
(2,4-dimethylphenyl)-bis(4-methylphenyl)methanol
CID 54297310
1-cyclopropyl-1-(2,4-dimethylphenyl)propan-1-ol
CID 64919325
2-(2,4-dimethylphenyl)-2-hydroxy-N-methylbutanamide
CID 91457472
2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
CID 82040151
(2R)-2-(2,5-dimethylphenyl)butan-2-ol
CID 94334052
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2-(2,4-dimethylphenyl)-2-hydroxypropanal
CID 66040527
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
CID 79138441

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,4-dimethylphenyl)butan-2-ol?
The IUPAC name of 1-amino-2-(2,4-dimethylphenyl)butan-2-ol (CID 79002052) is 1-amino-2-(2,4-dimethylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-2-(2,4-dimethylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-2-(2,4-dimethylphenyl)butan-2-ol is CCC(O)(CN)c1ccc(C)cc1C.
What is the InChIKey of 1-amino-2-(2,4-dimethylphenyl)butan-2-ol?
The InChIKey is WTNZUMNUOPWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(14,8-13)11-6-5-9(2)7-10(11)3/h5-7,14H,4,8,13H2,1-3H3.
What are the key properties of 1-amino-2-(2,4-dimethylphenyl)butan-2-ol?
1-amino-2-(2,4-dimethylphenyl)butan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.86, 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-dimethylphenyl)butan-2-ol is sourced from PubChem (CID 79002052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).