3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine

C11H16N2O — CID 83853025

IUPAC3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine
SMILESCC1COc2ccc(N)cc2CN1C
InChIInChI=1S/C11H16N2O/c1-8-7-14-11-4-3-10(12)5-9(11)6-13(8)2/h3-5,8H,6-7,12H2,1-2H3
InChIKeyXIRWEVJPTJXPIG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.48
Rot. Bonds

About 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine

3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine (PubChem CID 83853025) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine.

Molecular Properties

Compound Name3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine
PubChem CID83853025
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine
SMILESCC1COc2ccc(N)cc2CN1C
InChIInChI=1S/C11H16N2O/c1-8-7-14-11-4-3-10(12)5-9(11)6-13(8)2/h3-5,8H,6-7,12H2,1-2H3
InChIKeyXIRWEVJPTJXPIG-UHFFFAOYSA-N
XLogP1.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-7-piperazin-1-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 83853424
3-methoxy-3,4-dihydro-2H-chromen-6-amine
CID 105438039
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030
6-amino-3,4-dihydro-2H-chromene-3-carboxamide
CID 43209471
3-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-6-amine
CID 105495103
3-(4-aminophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 71521304
3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
CID 115098724
(3R)-7-amino-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 129451298
(3S)-3,7-diamino-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;hydrochloride
CID 154698028
(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 67217943
7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 20588416
9-chloro-7-ethyl-3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepine;ethane
CID 166553399

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine?
The IUPAC name of 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine (CID 83853025) is 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine.
What is the SMILES notation for 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine?
The canonical SMILES for 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine is CC1COc2ccc(N)cc2CN1C.
What is the InChIKey of 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine?
The InChIKey is XIRWEVJPTJXPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-7-14-11-4-3-10(12)5-9(11)6-13(8)2/h3-5,8H,6-7,12H2,1-2H3.
What are the key properties of 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine?
3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine has a molecular weight of 192.26 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine is sourced from PubChem (CID 83853025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).