3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine

C10H14N2O — CID 84618446

IUPAC3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine
SMILESCC1(C)COc2cc(N)ccc2N1
InChIInChI=1S/C10H14N2O/c1-10(2)6-13-9-5-7(11)3-4-8(9)12-10/h3-5,12H,6,11H2,1-2H3
InChIKeyKSYKOVLPSLLYKI-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.85
Rot. Bonds

About 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine

3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine (PubChem CID 84618446) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine
PubChem CID84618446
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine
SMILESCC1(C)COc2cc(N)ccc2N1
InChIInChI=1S/C10H14N2O/c1-10(2)6-13-9-5-7(11)3-4-8(9)12-10/h3-5,12H,6,11H2,1-2H3
InChIKeyKSYKOVLPSLLYKI-UHFFFAOYSA-N
XLogP1.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
CID 84618421
7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 90392310
3,3-dimethyl-7-(trifluoromethyl)-2,4-dihydro-1,4-benzoxazine
CID 115095228
3,3-dimethyl-2,4-dihydro-1,4-benzoxazine;ethane
CID 142860963
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol
CID 115095335
7-amino-4H-1,4-benzoxazine-3-thione
CID 86593929
3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537
(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine
CID 57265971
2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine
CID 115096246
3,7-dimethyl-2,4-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 117110738
8-bromo-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82232741
8-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 59020663

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine?
The IUPAC name of 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine (CID 84618446) is 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine?
The canonical SMILES for 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine is CC1(C)COc2cc(N)ccc2N1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine?
The InChIKey is KSYKOVLPSLLYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2)6-13-9-5-7(11)3-4-8(9)12-10/h3-5,12H,6,11H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine?
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine has a molecular weight of 178.24 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine is sourced from PubChem (CID 84618446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).