4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one

C15H22N2O2 — CID 82142321

IUPAC4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(C)(C)C)cc2N(CCN)C1=O
InChIInChI=1S/C15H22N2O2/c1-10-14(18)17(8-7-16)12-9-11(15(2,3)4)5-6-13(12)19-10/h5-6,9-10H,7-8,16H2,1-4H3
InChIKeyGSRJNIWQICSJID-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.06
Rot. Bonds2

About 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one

4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one (PubChem CID 82142321) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one
PubChem CID82142321
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(C)(C)C)cc2N(CCN)C1=O
InChIInChI=1S/C15H22N2O2/c1-10-14(18)17(8-7-16)12-9-11(15(2,3)4)5-6-13(12)19-10/h5-6,9-10H,7-8,16H2,1-4H3
InChIKeyGSRJNIWQICSJID-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-amino-2-methylpropan-2-yl)-4-ethyl-2-methyl-1,4-benzoxazin-3-one
CID 115259686
4-[(4-tert-butylphenyl)methyl]-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 23411148
6-amino-4-(4-aminobutyl)-2-methyl-1,4-benzoxazin-3-one
CID 115201020
6-(aminomethyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82063129
6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82339879
6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one
CID 82028570
6-(2-aminoethyl)-4-(3-hydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
CID 115217063
4-(aminomethyl)-2-methyl-6-(methylaminomethyl)-1,4-benzoxazin-3-one
CID 115225913
4-(2-amino-2-methylpropyl)-6-tert-butyl-2-ethyl-1,4-benzoxazin-3-one
CID 82143232
6-chloro-4-(3-hydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
CID 3044533
3-(6-fluoro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanenitrile
CID 82142905
2-methyl-4-(pyridin-4-ylmethyl)-6-(trifluoromethyl)-1,4-benzoxazin-3-one
CID 126473442

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one (CID 82142321) is 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one is CC1Oc2ccc(C(C)(C)C)cc2N(CCN)C1=O.
What is the InChIKey of 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one?
The InChIKey is GSRJNIWQICSJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-14(18)17(8-7-16)12-9-11(15(2,3)4)5-6-13(12)19-10/h5-6,9-10H,7-8,16H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one?
4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82142321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).