3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine

C8H12N2O — CID 175834463

IUPAC3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine
SMILESNC1=C2OCCNC2CC=C1
InChIInChI=1S/C8H12N2O/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-2,7,10H,3-5,9H2
InChIKeyVBSYBIRHCBLYQO-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.10
Rot. Bonds

About 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine

3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine (PubChem CID 175834463) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine
PubChem CID175834463
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine
SMILESNC1=C2OCCNC2CC=C1
InChIInChI=1S/C8H12N2O/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-2,7,10H,3-5,9H2
InChIKeyVBSYBIRHCBLYQO-UHFFFAOYSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine 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

7,8-difluoro-3-methyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
CID 91663177
3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 19765014
6-methoxy-3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 21441431
Dihydro-4-methyl-2H-1,4-benzoxazine-2-methanamine
CID 67497114
3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridine
CID 68692095
4-(2,6-Dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892610
4-[(2R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
CID 70974382
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
CID 70974386
3-(2,6-Dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70974472
6-methyl-3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 123302570
7-methyl-3,4,4a,5-tetrahydro-2H-1,4-benzoxazine
CID 130321857
3,5a,9a,10-tetrahydro-2H-phenoxazine
CID 135193048

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine (CID 175834463) is 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine is NC1=C2OCCNC2CC=C1.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine?
The InChIKey is VBSYBIRHCBLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-2,7,10H,3-5,9H2.
What are the key properties of 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine?
3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine has a molecular weight of 152.20 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-2H-1,4-benzoxazin-8-amine is sourced from PubChem (CID 175834463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).