3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine

C12H16N2O2 — CID 116835654

IUPAC3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine
SMILESCOCC(CN)c1ccc2oc(C)nc2c1
InChIInChI=1S/C12H16N2O2/c1-8-14-11-5-9(3-4-12(11)16-8)10(6-13)7-15-2/h3-5,10H,6-7,13H2,1-2H3
InChIKeyQNAOYXLUEZNGHP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.82
Rot. Bonds4

About 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine

3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine (PubChem CID 116835654) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine
PubChem CID116835654
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine
SMILESCOCC(CN)c1ccc2oc(C)nc2c1
InChIInChI=1S/C12H16N2O2/c1-8-14-11-5-9(3-4-12(11)16-8)10(6-13)7-15-2/h3-5,10H,6-7,13H2,1-2H3
InChIKeyQNAOYXLUEZNGHP-UHFFFAOYSA-N
XLogP1.82
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
3-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934225
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934071
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
1-(2-methyl-1,3-benzoxazol-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820110
2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
CID 116836117
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
3,4-diamino-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 116942843
N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945914
4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
CID 116941871

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine?
The IUPAC name of 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine (CID 116835654) is 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine is COCC(CN)c1ccc2oc(C)nc2c1.
What is the InChIKey of 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine?
The InChIKey is QNAOYXLUEZNGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-14-11-5-9(3-4-12(11)16-8)10(6-13)7-15-2/h3-5,10H,6-7,13H2,1-2H3.
What are the key properties of 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine?
3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine has a molecular weight of 220.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine is sourced from PubChem (CID 116835654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).