propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate

C16H24N2O3 — CID 82339051

IUPACpropyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate
SMILESCCCOC(=O)C(C)N1CC(C)Oc2cc(CN)ccc21
InChIInChI=1S/C16H24N2O3/c1-4-7-20-16(19)12(3)18-10-11(2)21-15-8-13(9-17)5-6-14(15)18/h5-6,8,11-12H,4,7,9-10,17H2,1-3H3
InChIKeyKZQWCFAFMALDHW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.07
Rot. Bonds5

About propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate

propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate (PubChem CID 82339051) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate.

Molecular Properties

Compound Namepropyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate
PubChem CID82339051
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namepropyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate
SMILESCCCOC(=O)C(C)N1CC(C)Oc2cc(CN)ccc21
InChIInChI=1S/C16H24N2O3/c1-4-7-20-16(19)12(3)18-10-11(2)21-15-8-13(9-17)5-6-14(15)18/h5-6,8,11-12H,4,7,9-10,17H2,1-3H3
InChIKeyKZQWCFAFMALDHW-UHFFFAOYSA-N
XLogP2.07
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 2-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate
CID 82339248
[2-methyl-4-(1-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339068
(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339065
methyl 2-[7-(aminomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate
CID 82338649
1-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-phenylethanone
CID 82339338
[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone
CID 82339335
7-(aminomethyl)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 82339339
1-[6-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82096690
1-[7-(aminomethyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-methylbutan-1-one
CID 82339390
[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339059
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
CID 82096688
propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82025175

Frequently Asked Questions

What is the IUPAC name of propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate?
The IUPAC name of propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate (CID 82339051) is propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate.
What is the SMILES notation for propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate?
The canonical SMILES for propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate is CCCOC(=O)C(C)N1CC(C)Oc2cc(CN)ccc21.
What is the InChIKey of propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate?
The InChIKey is KZQWCFAFMALDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-7-20-16(19)12(3)18-10-11(2)21-15-8-13(9-17)5-6-14(15)18/h5-6,8,11-12H,4,7,9-10,17H2,1-3H3.
What are the key properties of propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate?
propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate has a molecular weight of 292.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate is sourced from PubChem (CID 82339051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).