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

C8H10N2O — CID 11480537

IUPAC3,4-dihydro-2H-1,4-benzoxazin-7-amine
SMILESNc1ccc2c(c1)OCCN2
InChIInChI=1S/C8H10N2O/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4,9H2
InChIKeyXEMWHIJWZOJWNP-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.07
Rot. Bonds

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

3,4-dihydro-2H-1,4-benzoxazin-7-amine (PubChem CID 11480537) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-7-amine
PubChem CID11480537
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-7-amine
SMILESNc1ccc2c(c1)OCCN2
InChIInChI=1S/C8H10N2O/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4,9H2
InChIKeyXEMWHIJWZOJWNP-UHFFFAOYSA-N
XLogP1.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.07
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

2,3,4,5,6,7-hexahydro-1H-8,1,4-benzoxadiazecin-10-amine
CID 142373636
3,4-dihydro-2H-1,4-benzothiazin-6-amine;3,4-dihydro-2H-1,4-benzothiazin-7-amine;3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 158162839
8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine
CID 10028646
7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 56965755
3,4-dihydro-2H-1,4-benzoxazine-7-carbonitrile
CID 53403839
ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 142558688
3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
CID 167717191
8-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 59020663
3,4-dihydro-2H-benzo[g][1,4]benzoxazine
CID 83789533
6,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571249
4-(3,4-dihydro-2H-1,4-benzoxazin-7-ylmethyl)benzaldehyde
CID 166541088
7-amino-4H-1,4-benzoxazine-3-thione
CID 86593929

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-7-amine (CID 11480537) is 3,4-dihydro-2H-1,4-benzoxazin-7-amine.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-7-amine is Nc1ccc2c(c1)OCCN2.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The InChIKey is XEMWHIJWZOJWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4,9H2.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-7-amine?
3,4-dihydro-2H-1,4-benzoxazin-7-amine has a molecular weight of 150.18 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-7-amine is sourced from PubChem (CID 11480537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).