2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

C10H15N3O — CID 84619169

IUPAC2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESCC1Nc2cc(N)ccc2OC1CN
InChIInChI=1S/C10H15N3O/c1-6-10(5-11)14-9-3-2-7(12)4-8(9)13-6/h2-4,6,10,13H,5,11-12H2,1H3
InChIKeyVSNJUTGAMSDNBL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.79
Rot. Bonds1

About 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine (PubChem CID 84619169) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
PubChem CID84619169
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESCC1Nc2cc(N)ccc2OC1CN
InChIInChI=1S/C10H15N3O/c1-6-10(5-11)14-9-3-2-7(12)4-8(9)13-6/h2-4,6,10,13H,5,11-12H2,1H3
InChIKeyVSNJUTGAMSDNBL-UHFFFAOYSA-N
XLogP0.79
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 84619986
3-(6-amino-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-2,2-dimethylpropanenitrile
CID 118191920
methyl 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 84628338
2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84627917
2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84623698
1-[2-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84627787
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84620897
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetonitrile
CID 84619869
1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84621363
6-amino-3-methyl-3,4-dihydro-1,4-benzoxazin-2-one
CID 115096284
2-(3-aminophenyl)-2,3-dihydro-1,3-benzoxazol-5-amine
CID 137466924
2-(6-tert-butyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 84639220

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The IUPAC name of 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine (CID 84619169) is 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The canonical SMILES for 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine is CC1Nc2cc(N)ccc2OC1CN.
What is the InChIKey of 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The InChIKey is VSNJUTGAMSDNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-10(5-11)14-9-3-2-7(12)4-8(9)13-6/h2-4,6,10,13H,5,11-12H2,1H3.
What are the key properties of 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine has a molecular weight of 193.25 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine is sourced from PubChem (CID 84619169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).