2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine

C11H15N3O — CID 79994766

IUPAC2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
SMILESCCN(C)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C11H15N3O/c1-3-14(2)7-10-13-11-8(12)5-4-6-9(11)15-10/h4-6H,3,7,12H2,1-2H3
InChIKeyKRPBTEPEWKYDHN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds3

About 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine

2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine (PubChem CID 79994766) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
PubChem CID79994766
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
SMILESCCN(C)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C11H15N3O/c1-3-14(2)7-10-13-11-8(12)5-4-6-9(11)15-10/h4-6H,3,7,12H2,1-2H3
InChIKeyKRPBTEPEWKYDHN-UHFFFAOYSA-N
XLogP1.86
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine (CID 79994766) is 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine is CCN(C)Cc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine?
The InChIKey is KRPBTEPEWKYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-14(2)7-10-13-11-8(12)5-4-6-9(11)15-10/h4-6H,3,7,12H2,1-2H3.
What are the key properties of 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine?
2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79994766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).