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

C11H16N2O — CID 82096688

IUPAC(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
SMILESCC1CN(C)c2cc(CN)ccc2O1
InChIInChI=1S/C11H16N2O/c1-8-7-13(2)10-5-9(6-12)3-4-11(10)14-8/h3-5,8H,6-7,12H2,1-2H3
InChIKeyMKJBPEZYUYPWKC-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.36
Rot. Bonds1

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

(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine (PubChem CID 82096688) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
PubChem CID82096688
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
SMILESCC1CN(C)c2cc(CN)ccc2O1
InChIInChI=1S/C11H16N2O/c1-8-7-13(2)10-5-9(6-12)3-4-11(10)14-8/h3-5,8H,6-7,12H2,1-2H3
InChIKeyMKJBPEZYUYPWKC-UHFFFAOYSA-N
XLogP1.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-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

Related Compounds

1-[6-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82096690
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339065
(2,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 117046214
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276463
[2-methyl-4-(1-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339068
7-(aminomethyl)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 82339339
[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339059
1-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-phenylethanone
CID 82339338
6-(aminomethyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82063129
[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone
CID 82339335

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine?
The IUPAC name of (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine (CID 82096688) is (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine.
What is the SMILES notation for (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine?
The canonical SMILES for (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine is CC1CN(C)c2cc(CN)ccc2O1.
What is the InChIKey of (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine?
The InChIKey is MKJBPEZYUYPWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-7-13(2)10-5-9(6-12)3-4-11(10)14-8/h3-5,8H,6-7,12H2,1-2H3.
What are the key properties of (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine?
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine is sourced from PubChem (CID 82096688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).