6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine

C12H18N2O — CID 134530161

IUPAC6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESCCCN1CCOc2cc(N)c(C)cc21
InChIInChI=1S/C12H18N2O/c1-3-4-14-5-6-15-12-8-10(13)9(2)7-11(12)14/h7-8H,3-6,13H2,1-2H3
InChIKeyWVEYPGQGVWEBPG-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.19
Rot. Bonds2

About 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine

6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine (PubChem CID 134530161) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine
PubChem CID134530161
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESCCCN1CCOc2cc(N)c(C)cc21
InChIInChI=1S/C12H18N2O/c1-3-4-14-5-6-15-12-8-10(13)9(2)7-11(12)14/h7-8H,3-6,13H2,1-2H3
InChIKeyWVEYPGQGVWEBPG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The IUPAC name of 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine (CID 134530161) is 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine.
What is the SMILES notation for 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The canonical SMILES for 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine is CCCN1CCOc2cc(N)c(C)cc21.
What is the InChIKey of 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The InChIKey is WVEYPGQGVWEBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-14-5-6-15-12-8-10(13)9(2)7-11(12)14/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine?
6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine has a molecular weight of 206.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine is sourced from PubChem (CID 134530161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).