(4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine

C10H16N2O — CID 67497114

IUPAC(4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine
SMILESCN1CC(CN)OC2=CC=CCC21
InChIInChI=1S/C10H16N2O/c1-12-7-8(6-11)13-10-5-3-2-4-9(10)12/h2-3,5,8-9H,4,6-7,11H2,1H3
InChIKeyJTRKJMPTHZFPQD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.49
Rot. Bonds1

About (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine

(4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine (PubChem CID 67497114) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine
PubChem CID67497114
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine
SMILESCN1CC(CN)OC2=CC=CCC21
InChIInChI=1S/C10H16N2O/c1-12-7-8(6-11)13-10-5-3-2-4-9(10)12/h2-3,5,8-9H,4,6-7,11H2,1H3
InChIKeyJTRKJMPTHZFPQD-UHFFFAOYSA-N
XLogP0.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methyl-2,3,4a,5-tetrahydro-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-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine?
The IUPAC name of (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine (CID 67497114) is (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine.
What is the SMILES notation for (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine?
The canonical SMILES for (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine is CN1CC(CN)OC2=CC=CCC21.
What is the InChIKey of (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine?
The InChIKey is JTRKJMPTHZFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-7-8(6-11)13-10-5-3-2-4-9(10)12/h2-3,5,8-9H,4,6-7,11H2,1H3.
What are the key properties of (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine?
(4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,4a,5-tetrahydro-1,4-benzoxazin-2-yl)methanamine is sourced from PubChem (CID 67497114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).