N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

C11H16N2O — CID 82059310

IUPACN-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESCCNc1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C11H16N2O/c1-3-12-9-4-5-11-10(6-9)13-7-8(2)14-11/h4-6,8,12-13H,3,7H2,1-2H3
InChIKeyFPOUTFZXMDTPEB-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.31
Rot. Bonds2

About N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine (PubChem CID 82059310) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
PubChem CID82059310
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESCCNc1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C11H16N2O/c1-3-12-9-4-5-11-10(6-9)13-7-8(2)14-11/h4-6,8,12-13H,3,7H2,1-2H3
InChIKeyFPOUTFZXMDTPEB-UHFFFAOYSA-N
XLogP2.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine 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

(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 90244467
6-(3-bromo-4-methylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817481
2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82261602
2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817465
3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine
CID 82261596
2-(2-hydroxyethylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261643
2-methyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098710
6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817485

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The IUPAC name of N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine (CID 82059310) is N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine.
What is the SMILES notation for N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The canonical SMILES for N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine is CCNc1ccc2c(c1)NCC(C)O2.
What is the InChIKey of N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The InChIKey is FPOUTFZXMDTPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-12-9-4-5-11-10(6-9)13-7-8(2)14-11/h4-6,8,12-13H,3,7H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine has a molecular weight of 192.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine is sourced from PubChem (CID 82059310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).