propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate

C14H20N2O3 — CID 82025175

IUPACpropyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
SMILESCCCOC(=O)CN1CC(C)Oc2ccc(N)cc21
InChIInChI=1S/C14H20N2O3/c1-3-6-18-14(17)9-16-8-10(2)19-13-5-4-11(15)7-12(13)16/h4-5,7,10H,3,6,8-9,15H2,1-2H3
InChIKeyAWJAWMWDZUQZOJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds4

About propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate

propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate (PubChem CID 82025175) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
PubChem CID82025175
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namepropyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
SMILESCCCOC(=O)CN1CC(C)Oc2ccc(N)cc21
InChIInChI=1S/C14H20N2O3/c1-3-6-18-14(17)9-16-8-10(2)19-13-5-4-11(15)7-12(13)16/h4-5,7,10H,3,6,8-9,15H2,1-2H3
InChIKeyAWJAWMWDZUQZOJ-UHFFFAOYSA-N
XLogP1.81
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.81
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-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82025188
ethyl 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82025463
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide
CID 82025155
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 82025146
2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82345601
4-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82025211
2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82025229
2-(7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 82025111
2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 82025514
2-amino-1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340219
1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 82354946
6-amino-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84621046

Frequently Asked Questions

What is the IUPAC name of propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate (CID 82025175) is propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate is CCCOC(=O)CN1CC(C)Oc2ccc(N)cc21.
What is the InChIKey of propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
The InChIKey is AWJAWMWDZUQZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-6-18-14(17)9-16-8-10(2)19-13-5-4-11(15)7-12(13)16/h4-5,7,10H,3,6,8-9,15H2,1-2H3.
What are the key properties of propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate?
propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate has a molecular weight of 264.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 82025175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).