2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine

C11H13BrN2O — CID 82233461

IUPAC2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCc1cc(C)c2nc(CCN)oc2c1Br
InChIInChI=1S/C11H13BrN2O/c1-6-5-7(2)10-11(9(6)12)15-8(14-10)3-4-13/h5H,3-4,13H2,1-2H3
InChIKeyWQOGRUKSIODHNR-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.71
Rot. Bonds2

About 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine

2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine (PubChem CID 82233461) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine
PubChem CID82233461
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCc1cc(C)c2nc(CCN)oc2c1Br
InChIInChI=1S/C11H13BrN2O/c1-6-5-7(2)10-11(9(6)12)15-8(14-10)3-4-13/h5H,3-4,13H2,1-2H3
InChIKeyWQOGRUKSIODHNR-UHFFFAOYSA-N
XLogP2.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82234026
7-bromo-2-(2,2-dimethylpropyl)-4,6-dimethyl-1,3-benzoxazole
CID 82233986
2-(7-bromo-4,6-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 82234292
3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82233718
7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
CID 82234163
2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine
CID 82410081
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82288890
2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine
CID 82401519
3-(5-chloro-7-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231159
(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229697
2-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82489421

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine (CID 82233461) is 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine is Cc1cc(C)c2nc(CCN)oc2c1Br.
What is the InChIKey of 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is WQOGRUKSIODHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-6-5-7(2)10-11(9(6)12)15-8(14-10)3-4-13/h5H,3-4,13H2,1-2H3.
What are the key properties of 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine?
2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 269.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine is sourced from PubChem (CID 82233461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).