(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine

C12H18N2O — CID 84620756

IUPAC(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
SMILESCCc1ccc2c(c1)N(C)C(CN)CO2
InChIInChI=1S/C12H18N2O/c1-3-9-4-5-12-11(6-9)14(2)10(7-13)8-15-12/h4-6,10H,3,7-8,13H2,1-2H3
InChIKeyOGKWKRZKBLRBFO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds2

About (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine

(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine (PubChem CID 84620756) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine.

Molecular Properties

Compound Name(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
PubChem CID84620756
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
SMILESCCc1ccc2c(c1)N(C)C(CN)CO2
InChIInChI=1S/C12H18N2O/c1-3-9-4-5-12-11(6-9)14(2)10(7-13)8-15-12/h4-6,10H,3,7-8,13H2,1-2H3
InChIKeyOGKWKRZKBLRBFO-UHFFFAOYSA-N
XLogP1.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbonitrile
CID 84619871
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276463
7-ethyl-5-methyl-4H-1,3,5-benzodioxazepine
CID 143588706
2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82231045
3-(hydroxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile
CID 84620168
2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 21460973
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
3-(2-hydroxyethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile
CID 84622820
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82075648
3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)propanoic acid
CID 84635818
2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
CID 84621374
1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84627911

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine?
The IUPAC name of (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine (CID 84620756) is (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine.
What is the SMILES notation for (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine?
The canonical SMILES for (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine is CCc1ccc2c(c1)N(C)C(CN)CO2.
What is the InChIKey of (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine?
The InChIKey is OGKWKRZKBLRBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-9-4-5-12-11(6-9)14(2)10(7-13)8-15-12/h4-6,10H,3,7-8,13H2,1-2H3.
What are the key properties of (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine?
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine is sourced from PubChem (CID 84620756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).