2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine

C12H16N2O2 — CID 102696213

IUPAC2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2nc(C(C)(C)CN)oc2c1
InChIInChI=1S/C12H16N2O2/c1-12(2,7-13)11-14-9-5-4-8(15-3)6-10(9)16-11/h4-6H,7,13H2,1-3H3
InChIKeyBGQFOMNQCAEEMN-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.07
Rot. Bonds3

About 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine

2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (PubChem CID 102696213) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
PubChem CID102696213
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2nc(C(C)(C)CN)oc2c1
InChIInChI=1S/C12H16N2O2/c1-12(2,7-13)11-14-9-5-4-8(15-3)6-10(9)16-11/h4-6H,7,13H2,1-3H3
InChIKeyBGQFOMNQCAEEMN-UHFFFAOYSA-N
XLogP2.07
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837480
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 102696419
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine
CID 103020647
2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole
CID 122642759
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
CID 102696482

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (CID 102696213) is 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is COc1ccc2nc(C(C)(C)CN)oc2c1.
What is the InChIKey of 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is BGQFOMNQCAEEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,7-13)11-14-9-5-4-8(15-3)6-10(9)16-11/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 220.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 102696213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).