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

C12H18N2O — CID 82276463

IUPAC(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
SMILESCCc1ccc2c(c1)N(C)CC(CN)O2
InChIInChI=1S/C12H18N2O/c1-3-9-4-5-12-11(6-9)14(2)8-10(7-13)15-12/h4-6,10H,3,7-8,13H2,1-2H3
InChIKeyJCHVPCUWRLLEAY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds2

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

(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine (PubChem CID 82276463) 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-2-yl)methanamine.

Molecular Properties

Compound Name(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
PubChem CID82276463
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
SMILESCCc1ccc2c(c1)N(C)CC(CN)O2
InChIInChI=1S/C12H18N2O/c1-3-9-4-5-12-11(6-9)14(2)8-10(7-13)15-12/h4-6,10H,3,7-8,13H2,1-2H3
InChIKeyJCHVPCUWRLLEAY-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

2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
CID 82096688
2-(aminomethyl)-6-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82231045
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
CID 84620756
(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276468
4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol
CID 82229519
4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one
CID 82142313
(6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanol
CID 171370263
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetonitrile
CID 82142924
[(2S)-4-methyl-8-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine
CID 68547165
2,5-diethyl-2,3-dihydro-1-benzofuran
CID 19757400
7-ethyl-5-methyl-4H-1,3,5-benzodioxazepine
CID 143588706

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The IUPAC name of (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine (CID 82276463) is (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine.
What is the SMILES notation for (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The canonical SMILES for (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine is CCc1ccc2c(c1)N(C)CC(CN)O2.
What is the InChIKey of (6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The InChIKey is JCHVPCUWRLLEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-9-4-5-12-11(6-9)14(2)8-10(7-13)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-2-yl)methanamine?
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-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-2-yl)methanamine is sourced from PubChem (CID 82276463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).