3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine

C12H15BrN2O — CID 82233718

IUPAC3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine
SMILESCc1cc2oc(CCCN)nc2c(C)c1Br
InChIInChI=1S/C12H15BrN2O/c1-7-6-9-12(8(2)11(7)13)15-10(16-9)4-3-5-14/h6H,3-5,14H2,1-2H3
InChIKeyYFZXMCMQAPEUQY-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.10
Rot. Bonds3

About 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine

3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine (PubChem CID 82233718) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine
PubChem CID82233718
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine
SMILESCc1cc2oc(CCCN)nc2c(C)c1Br
InChIInChI=1S/C12H15BrN2O/c1-7-6-9-12(8(2)11(7)13)15-10(16-9)4-3-5-14/h6H,3-5,14H2,1-2H3
InChIKeyYFZXMCMQAPEUQY-UHFFFAOYSA-N
XLogP3.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine
CID 82233461
3-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231160
3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
CID 82232079
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 114329248
3-(5-chloro-7-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231159
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229697
2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)ethanamine
CID 107727451
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864
2-(3-chloropropyl)-4-methyl-1,3-benzoxazole
CID 61037198
2-(7-bromo-4,6-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 82234292
3-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82234026

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine (CID 82233718) is 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine is Cc1cc2oc(CCCN)nc2c(C)c1Br.
What is the InChIKey of 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine?
The InChIKey is YFZXMCMQAPEUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-7-6-9-12(8(2)11(7)13)15-10(16-9)4-3-5-14/h6H,3-5,14H2,1-2H3.
What are the key properties of 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine?
3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine has a molecular weight of 283.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine is sourced from PubChem (CID 82233718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).