3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine

C10H15N3O — CID 84619167

IUPAC3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine
SMILESNCCC1COc2cc(N)ccc2N1
InChIInChI=1S/C10H15N3O/c11-4-3-8-6-14-10-5-7(12)1-2-9(10)13-8/h1-2,5,8,13H,3-4,6,11-12H2
InChIKeyLXQQJJSKHZZAEF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.79
Rot. Bonds2

About 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine

3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine (PubChem CID 84619167) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine
PubChem CID84619167
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine
SMILESNCCC1COc2cc(N)ccc2N1
InChIInChI=1S/C10H15N3O/c11-4-3-8-6-14-10-5-7(12)1-2-9(10)13-8/h1-2,5,8,13H,3-4,6,11-12H2
InChIKeyLXQQJJSKHZZAEF-UHFFFAOYSA-N
XLogP0.79
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine 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

[(3S)-7-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl]methanol
CID 59020655
(7-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84619592
3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
CID 84621114
3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
CID 84620908
8-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 59020663
(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 68554157
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
3-(2-cyanoethyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
CID 84626822
3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537
ethyl 2-[(3S)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
CID 92715845
(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
CID 11195468
(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84623706

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The IUPAC name of 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine (CID 84619167) is 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine.
What is the SMILES notation for 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The canonical SMILES for 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine is NCCC1COc2cc(N)ccc2N1.
What is the InChIKey of 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The InChIKey is LXQQJJSKHZZAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-4-3-8-6-14-10-5-7(12)1-2-9(10)13-8/h1-2,5,8,13H,3-4,6,11-12H2.
What are the key properties of 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine?
3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine has a molecular weight of 193.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine is sourced from PubChem (CID 84619167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).