2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine

C14H21N3O2 — CID 79995091

IUPAC2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine
SMILESCCN(Cc1nc2ccc(N)cc2o1)C(C)COC
InChIInChI=1S/C14H21N3O2/c1-4-17(10(2)9-18-3)8-14-16-12-6-5-11(15)7-13(12)19-14/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyYGXNHQOHLSFBLG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds6

About 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine

2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine (PubChem CID 79995091) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine
PubChem CID79995091
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine
SMILESCCN(Cc1nc2ccc(N)cc2o1)C(C)COC
InChIInChI=1S/C14H21N3O2/c1-4-17(10(2)9-18-3)8-14-16-12-6-5-11(15)7-13(12)19-14/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyYGXNHQOHLSFBLG-UHFFFAOYSA-N
XLogP2.27
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine (CID 79995091) is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine is CCN(Cc1nc2ccc(N)cc2o1)C(C)COC.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine?
The InChIKey is YGXNHQOHLSFBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-17(10(2)9-18-3)8-14-16-12-6-5-11(15)7-13(12)19-14/h5-7,10H,4,8-9,15H2,1-3H3.
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine?
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine has a molecular weight of 263.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79995091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).