3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine

C10H15N3O — CID 84619164

IUPAC3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine
SMILESCNCC1COc2c(N)cccc2N1
InChIInChI=1S/C10H15N3O/c1-12-5-7-6-14-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyQCIIEGQENJOPAU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.66
Rot. Bonds2

About 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine

3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine (PubChem CID 84619164) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine.

Molecular Properties

Compound Name3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine
PubChem CID84619164
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine
SMILESCNCC1COc2c(N)cccc2N1
InChIInChI=1S/C10H15N3O/c1-12-5-7-6-14-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyQCIIEGQENJOPAU-UHFFFAOYSA-N
XLogP0.66
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine
CID 84636424
3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 84618499
2-(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84618680
1-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84635562
3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 84652608
1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753333
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558414
3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229951
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine
CID 115098848
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
3-(8-cyano-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propanoic acid
CID 84626838
3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine
CID 105447073

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The IUPAC name of 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine (CID 84619164) is 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine.
What is the SMILES notation for 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The canonical SMILES for 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine is CNCC1COc2c(N)cccc2N1.
What is the InChIKey of 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The InChIKey is QCIIEGQENJOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-5-7-6-14-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6,11H2,1H3.
What are the key properties of 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine has a molecular weight of 193.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine is sourced from PubChem (CID 84619164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).