2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine

C11H16N2O — CID 82345735

IUPAC2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESCCC1CN(C)c2c(N)cccc2O1
InChIInChI=1S/C11H16N2O/c1-3-8-7-13(2)11-9(12)5-4-6-10(11)14-8/h4-6,8H,3,7,12H2,1-2H3
InChIKeyKEXVMJIHVNJUEV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.88
Rot. Bonds1

About 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine

2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine (PubChem CID 82345735) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine
PubChem CID82345735
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESCCC1CN(C)c2c(N)cccc2O1
InChIInChI=1S/C11H16N2O/c1-3-8-7-13(2)11-9(12)5-4-6-10(11)14-8/h4-6,8H,3,7,12H2,1-2H3
InChIKeyKEXVMJIHVNJUEV-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82345714
2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345869
4-(3-methylbutyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345878
3-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propane-1,2-diol
CID 82345661
5-amino-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82346193
(E)-but-2-enedioic acid;7-ethyl-9-methyl-6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene
CID 67756603
(4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276468
4,5-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84620861
4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345521
N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355198
2-(5-amino-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 82345860
5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82346261

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The IUPAC name of 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine (CID 82345735) is 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine.
What is the SMILES notation for 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The canonical SMILES for 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine is CCC1CN(C)c2c(N)cccc2O1.
What is the InChIKey of 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The InChIKey is KEXVMJIHVNJUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8-7-13(2)11-9(12)5-4-6-10(11)14-8/h4-6,8H,3,7,12H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine?
2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine has a molecular weight of 192.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine is sourced from PubChem (CID 82345735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).