4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine

C12H18N2O — CID 82230481

IUPAC4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCC(C)c1cc(N)cc2c1OCCN2C
InChIInChI=1S/C12H18N2O/c1-8(2)10-6-9(13)7-11-12(10)15-5-4-14(11)3/h6-8H,4-5,13H2,1-3H3
InChIKeyPJEDNBGPTMYUAQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.22
Rot. Bonds1

About 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine

4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine (PubChem CID 82230481) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine
PubChem CID82230481
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCC(C)c1cc(N)cc2c1OCCN2C
InChIInChI=1S/C12H18N2O/c1-8(2)10-6-9(13)7-11-12(10)15-5-4-14(11)3/h6-8H,4-5,13H2,1-3H3
InChIKeyPJEDNBGPTMYUAQ-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine?
The IUPAC name of 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine (CID 82230481) is 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine.
What is the SMILES notation for 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine?
The canonical SMILES for 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine is CC(C)c1cc(N)cc2c1OCCN2C.
What is the InChIKey of 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine?
The InChIKey is PJEDNBGPTMYUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)10-6-9(13)7-11-12(10)15-5-4-14(11)3/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine?
4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine has a molecular weight of 206.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-amine is sourced from PubChem (CID 82230481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).