2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine

C11H14N2O2 — CID 79463515

IUPAC2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine
SMILESCc1cccc2oc(COCCN)nc12
InChIInChI=1S/C11H14N2O2/c1-8-3-2-4-9-11(8)13-10(15-9)7-14-6-5-12/h2-4H,5-7,12H2,1H3
InChIKeyZFSFJAYSUFMPSW-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.61
Rot. Bonds4

About 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine

2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine (PubChem CID 79463515) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine
PubChem CID79463515
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine
SMILESCc1cccc2oc(COCCN)nc12
InChIInChI=1S/C11H14N2O2/c1-8-3-2-4-9-11(8)13-10(15-9)7-14-6-5-12/h2-4H,5-7,12H2,1H3
InChIKeyZFSFJAYSUFMPSW-UHFFFAOYSA-N
XLogP1.61
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine?
The IUPAC name of 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine (CID 79463515) is 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine.
What is the SMILES notation for 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine?
The canonical SMILES for 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine is Cc1cccc2oc(COCCN)nc12.
What is the InChIKey of 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine?
The InChIKey is ZFSFJAYSUFMPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-3-2-4-9-11(8)13-10(15-9)7-14-6-5-12/h2-4H,5-7,12H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine?
2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine has a molecular weight of 206.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-benzoxazol-2-yl)methoxy]ethanamine is sourced from PubChem (CID 79463515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).