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

C11H14N2O — CID 82403969

IUPAC2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
SMILESCc1nc2ccc(C(C)(C)N)cc2o1
InChIInChI=1S/C11H14N2O/c1-7-13-9-5-4-8(11(2,3)12)6-10(9)14-7/h4-6H,12H2,1-3H3
InChIKeyZZKFXPDEHHEQDO-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.33
Rot. Bonds1

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

2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine (PubChem CID 82403969) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
PubChem CID82403969
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
SMILESCc1nc2ccc(C(C)(C)N)cc2o1
InChIInChI=1S/C11H14N2O/c1-7-13-9-5-4-8(11(2,3)12)6-10(9)14-7/h4-6H,12H2,1-3H3
InChIKeyZZKFXPDEHHEQDO-UHFFFAOYSA-N
XLogP2.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,3-benzoxazol-6-yl)propane-2-thiol
CID 116866628
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609
3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116841072
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
N-[2-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)propyl]carbamoyl bromide
CID 115194279
2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine
CID 116853551
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
3-N,3-dimethyl-3-N-(2-methyl-1,3-benzoxazol-6-yl)butane-1,3-diamine
CID 115134610
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
(2-methyl-1,3-benzoxazol-6-yl) 4-(trifluoromethyl)benzoate
CID 110494488

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine (CID 82403969) is 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine is Cc1nc2ccc(C(C)(C)N)cc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine?
The InChIKey is ZZKFXPDEHHEQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-13-9-5-4-8(11(2,3)12)6-10(9)14-7/h4-6H,12H2,1-3H3.
What are the key properties of 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine?
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine has a molecular weight of 190.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine is sourced from PubChem (CID 82403969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).