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

C12H16N2O — CID 79601565

IUPAC2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCc1cccc2nc(CC(C)(C)N)oc12
InChIInChI=1S/C12H16N2O/c1-8-5-4-6-9-11(8)15-10(14-9)7-12(2,3)13/h4-6H,7,13H2,1-3H3
InChIKeyRTXFZYQKOMMONX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.42
Rot. Bonds2

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

2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine (PubChem CID 79601565) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine
PubChem CID79601565
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine
SMILESCc1cccc2nc(CC(C)(C)N)oc12
InChIInChI=1S/C12H16N2O/c1-8-5-4-6-9-11(8)15-10(14-9)7-12(2,3)13/h4-6H,7,13H2,1-3H3
InChIKeyRTXFZYQKOMMONX-UHFFFAOYSA-N
XLogP2.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine (CID 79601565) is 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine is Cc1cccc2nc(CC(C)(C)N)oc12.
What is the InChIKey of 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine?
The InChIKey is RTXFZYQKOMMONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-4-6-9-11(8)15-10(14-9)7-12(2,3)13/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine?
2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine has a molecular weight of 204.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyl-1,3-benzoxazol-2-yl)propan-2-amine is sourced from PubChem (CID 79601565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).