2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline

C14H14N2O — CID 82391483

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
SMILESNc1ccccc1N1CCOc2ccccc21
InChIInChI=1S/C14H14N2O/c15-11-5-1-2-6-12(11)16-9-10-17-14-8-4-3-7-13(14)16/h1-8H,9-10,15H2
InChIKeyZBKZDLFRQNJBFY-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.80
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline

2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline (PubChem CID 82391483) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
PubChem CID82391483
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
SMILESNc1ccccc1N1CCOc2ccccc21
InChIInChI=1S/C14H14N2O/c15-11-5-1-2-6-12(11)16-9-10-17-14-8-4-3-7-13(14)16/h1-8H,9-10,15H2
InChIKeyZBKZDLFRQNJBFY-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline 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

4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007468
4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007471
4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007473
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007491
4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
CID 90715593
4-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzene-1,2-diamine
CID 106751101
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 174643080
3-[3-amino-4-(2,3-dihydro-1,4-benzoxazin-4-yl)phenyl]-4-methoxybutanoic acid
CID 122587503
2-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-5-methylaniline
CID 61113471
(3-amino-2-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 115930230

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline (CID 82391483) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline is Nc1ccccc1N1CCOc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline?
The InChIKey is ZBKZDLFRQNJBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-11-5-1-2-6-12(11)16-9-10-17-14-8-4-3-7-13(14)16/h1-8H,9-10,15H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline has a molecular weight of 226.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline is sourced from PubChem (CID 82391483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).