1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol

C12H16N2O2 — CID 116942135

IUPAC1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
SMILESCc1nc2ccc(C(N)C(C)(C)O)cc2o1
InChIInChI=1S/C12H16N2O2/c1-7-14-9-5-4-8(6-10(9)16-7)11(13)12(2,3)15/h4-6,11,15H,13H2,1-3H3
InChIKeyLKARQUGPXSBVBI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.91
Rot. Bonds2

About 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol

1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol (PubChem CID 116942135) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
PubChem CID116942135
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
SMILESCc1nc2ccc(C(N)C(C)(C)O)cc2o1
InChIInChI=1S/C12H16N2O2/c1-7-14-9-5-4-8(6-10(9)16-7)11(13)12(2,3)15/h4-6,11,15H,13H2,1-3H3
InChIKeyLKARQUGPXSBVBI-UHFFFAOYSA-N
XLogP1.91
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493621
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
2-chloro-1-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116863715
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 131325865
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
CID 116836117
2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 116945511
N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 116934938
3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937388

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol (CID 116942135) is 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol is Cc1nc2ccc(C(N)C(C)(C)O)cc2o1.
What is the InChIKey of 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol?
The InChIKey is LKARQUGPXSBVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-14-9-5-4-8(6-10(9)16-7)11(13)12(2,3)15/h4-6,11,15H,13H2,1-3H3.
What are the key properties of 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol?
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol is sourced from PubChem (CID 116942135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).