2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine

C12H16N2O3 — CID 96594837

IUPAC2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCOc1ccc2nc(C(C)(C)N)oc2c1OC
InChIInChI=1S/C12H16N2O3/c1-12(2,13)11-14-7-5-6-8(15-3)10(16-4)9(7)17-11/h5-6H,13H2,1-4H3
InChIKeyONQOZNSRMCFBLH-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.04
Rot. Bonds3

About 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine

2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine (PubChem CID 96594837) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine
PubChem CID96594837
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCOc1ccc2nc(C(C)(C)N)oc2c1OC
InChIInChI=1S/C12H16N2O3/c1-12(2,13)11-14-7-5-6-8(15-3)10(16-4)9(7)17-11/h5-6H,13H2,1-4H3
InChIKeyONQOZNSRMCFBLH-UHFFFAOYSA-N
XLogP2.04
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-bromo-1,3-benzoxazol-2-yl)propan-2-amine
CID 81494751
2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 63676578
2-(5-methoxynaphthalen-1-yl)propan-2-amine
CID 105468872
2-(3-methoxy-6-methyl-2-pyridinyl)propan-2-amine
CID 84768211
7-bromo-2-chloro-6-methoxy-1,3-benzoxazole
CID 130140427
2-chloro-5,6-dimethoxyquinoline
CID 146155196
2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine
CID 103020647
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
6,7-dimethoxy-2-phenyl-1,3-benzothiazole
CID 101432733
2,3,4-trimethoxyaniline
CID 15455622
CID 66584049
CID 66584049
(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 155803415

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine?
The IUPAC name of 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine (CID 96594837) is 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine is COc1ccc2nc(C(C)(C)N)oc2c1OC.
What is the InChIKey of 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine?
The InChIKey is ONQOZNSRMCFBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,13)11-14-7-5-6-8(15-3)10(16-4)9(7)17-11/h5-6H,13H2,1-4H3.
What are the key properties of 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine?
2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine has a molecular weight of 236.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-1,3-benzoxazol-2-yl)propan-2-amine is sourced from PubChem (CID 96594837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).