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

C11H14N2O2 — CID 81085051

IUPAC2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCOCC(N)c1nc2cc(C)ccc2o1
InChIInChI=1S/C11H14N2O2/c1-7-3-4-10-9(5-7)13-11(15-10)8(12)6-14-2/h3-5,8H,6,12H2,1-2H3
InChIKeyRXVRPPMBDJKWPB-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.78
Rot. Bonds3

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

2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine (PubChem CID 81085051) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
PubChem CID81085051
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine
SMILESCOCC(N)c1nc2cc(C)ccc2o1
InChIInChI=1S/C11H14N2O2/c1-7-3-4-10-9(5-7)13-11(15-10)8(12)6-14-2/h3-5,8H,6,12H2,1-2H3
InChIKeyRXVRPPMBDJKWPB-UHFFFAOYSA-N
XLogP1.78
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 60918146
1-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 54936860
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 62882624
3-amino-2-(5-methyl-1,3-benzoxazol-2-yl)-3-oxopropanoic acid
CID 57017901
2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 81079007
5-methyl-2-(6-methylheptan-3-yl)-1,3-benzoxazole
CID 144503892
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
CID 63675448
1-(6-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 43436695
ethyl N-[(5-methyl-1,3-benzoxazole-2-carbonyl)amino]carbamate
CID 13447629
1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-3-methoxypropan-1-amine
CID 82720450
3-methoxy-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine
CID 116835654

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine (CID 81085051) is 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine is COCC(N)c1nc2cc(C)ccc2o1.
What is the InChIKey of 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is RXVRPPMBDJKWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-3-4-10-9(5-7)13-11(15-10)8(12)6-14-2/h3-5,8H,6,12H2,1-2H3.
What are the key properties of 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine?
2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 206.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methyl-1,3-benzoxazol-2-yl)ethanamine is sourced from PubChem (CID 81085051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).