(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine

C12H18N2O — CID 82276468

IUPAC(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
SMILESCc1cc(C)c2c(c1)OC(CN)CN2C
InChIInChI=1S/C12H18N2O/c1-8-4-9(2)12-11(5-8)15-10(6-13)7-14(12)3/h4-5,10H,6-7,13H2,1-3H3
InChIKeyZVPQEAYAVDQOFJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.46
Rot. Bonds1

About (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine

(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine (PubChem CID 82276468) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine.

Molecular Properties

Compound Name(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
PubChem CID82276468
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
SMILESCc1cc(C)c2c(c1)OC(CN)CN2C
InChIInChI=1S/C12H18N2O/c1-8-4-9(2)12-11(5-8)15-10(6-13)7-14(12)3/h4-5,10H,6-7,13H2,1-3H3
InChIKeyZVPQEAYAVDQOFJ-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The IUPAC name of (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine (CID 82276468) is (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine.
What is the SMILES notation for (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The canonical SMILES for (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine is Cc1cc(C)c2c(c1)OC(CN)CN2C.
What is the InChIKey of (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The InChIKey is ZVPQEAYAVDQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-4-9(2)12-11(5-8)15-10(6-13)7-14(12)3/h4-5,10H,6-7,13H2,1-3H3.
What are the key properties of (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine is sourced from PubChem (CID 82276468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).