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

C15H23N3O2 — CID 79994779

IUPAC2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine
SMILESCOCCN(Cc1nc2c(N)cccc2o1)CC(C)C
InChIInChI=1S/C15H23N3O2/c1-11(2)9-18(7-8-19-3)10-14-17-15-12(16)5-4-6-13(15)20-14/h4-6,11H,7-10,16H2,1-3H3
InChIKeyGOPAYNJBEGVZFM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.51
Rot. Bonds7

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

2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine (PubChem CID 79994779) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine
PubChem CID79994779
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine
SMILESCOCCN(Cc1nc2c(N)cccc2o1)CC(C)C
InChIInChI=1S/C15H23N3O2/c1-11(2)9-18(7-8-19-3)10-14-17-15-12(16)5-4-6-13(15)20-14/h4-6,11H,7-10,16H2,1-3H3
InChIKeyGOPAYNJBEGVZFM-UHFFFAOYSA-N
XLogP2.51
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-benzoxazole-2,4-diamine
CID 79893354
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 79994775
2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
CID 79998169
2-[[butan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996230
2-[[methyl(2-methylbutyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995285
2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine
CID 104739945
2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79994766
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 113475509
2-(3-methoxypropylsulfinylmethyl)-1,3-benzoxazol-4-amine
CID 79999533
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995484
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride
CID 119930437
1-(2-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265978

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine (CID 79994779) is 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine is COCCN(Cc1nc2c(N)cccc2o1)CC(C)C.
What is the InChIKey of 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine?
The InChIKey is GOPAYNJBEGVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)9-18(7-8-19-3)10-14-17-15-12(16)5-4-6-13(15)20-14/h4-6,11H,7-10,16H2,1-3H3.
What are the key properties of 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine?
2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79994779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).