4H-3,1-benzoxazin-2-amine

C8H8N2O — CID 14270794

IUPAC4H-3,1-benzoxazin-2-amine
SMILESNC1=Nc2ccccc2CO1
InChIInChI=1S/C8H8N2O/c9-8-10-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H2,9,10)
InChIKeySKHFTZPGXNBTJS-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.16
Rot. Bonds

About 4H-3,1-benzoxazin-2-amine

4H-3,1-benzoxazin-2-amine (PubChem CID 14270794) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 4H-3,1-benzoxazin-2-amine.

Molecular Properties

Compound Name4H-3,1-benzoxazin-2-amine
PubChem CID14270794
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name4H-3,1-benzoxazin-2-amine
SMILESNC1=Nc2ccccc2CO1
InChIInChI=1S/C8H8N2O/c9-8-10-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H2,9,10)
InChIKeySKHFTZPGXNBTJS-UHFFFAOYSA-N
XLogP1.16
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methoxymethyl)aniline
CID 12334306
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-
CID 31525
1-Isothiocyanato-2-(methoxymethyl)benzene
CID 61504409
3-Fluoro-2-(methoxymethyl)aniline
CID 63331648
4H-3,1-Benzoxazine
CID 21226449
2-(trifluoromethyl)-4H-3,1-benzoxazine
CID 134860139
N-(3-fluorophenyl)-4H-3,1-benzoxazin-2-amine
CID 164666448
2-Methyl-4H-3,1-benzoxazine
CID 10725495
2-Phenyl-4H-3,1-benzoxazine
CID 10998271
N-phenyl-4H-3,1-benzoxazin-2-amine
CID 14547978
N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine
CID 15743035

Frequently Asked Questions

What is the IUPAC name of 4H-3,1-benzoxazin-2-amine?
The IUPAC name of 4H-3,1-benzoxazin-2-amine (CID 14270794) is 4H-3,1-benzoxazin-2-amine.
What is the SMILES notation for 4H-3,1-benzoxazin-2-amine?
The canonical SMILES for 4H-3,1-benzoxazin-2-amine is NC1=Nc2ccccc2CO1.
What is the InChIKey of 4H-3,1-benzoxazin-2-amine?
The InChIKey is SKHFTZPGXNBTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-8-10-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H2,9,10).
What are the key properties of 4H-3,1-benzoxazin-2-amine?
4H-3,1-benzoxazin-2-amine has a molecular weight of 148.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-3,1-benzoxazin-2-amine is sourced from PubChem (CID 14270794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).