2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine

C14H22N2O — CID 84627917

IUPAC2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)NC(C)C(CCN)O2
InChIInChI=1S/C14H22N2O/c1-9(2)11-4-5-14-12(8-11)16-10(3)13(17-14)6-7-15/h4-5,8-10,13,16H,6-7,15H2,1-3H3
InChIKeyPBKHGVDUXFCRFT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine

2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine (PubChem CID 84627917) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
PubChem CID84627917
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)NC(C)C(CCN)O2
InChIInChI=1S/C14H22N2O/c1-9(2)11-4-5-14-12(8-11)16-10(3)13(17-14)6-7-15/h4-5,8-10,13,16H,6-7,15H2,1-3H3
InChIKeyPBKHGVDUXFCRFT-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine with MolForge

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Related Compounds

2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84623698
1-[2-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84627787
2-(2-aminoethyl)-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82231668
2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 84619169
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84620897
2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 84619986
methyl 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 84628338
2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84621369
methyl 2-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 84634284
2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine
CID 84628406
2-ethyl-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82177336
2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 58125585

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The IUPAC name of 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine (CID 84627917) is 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine is CC(C)c1ccc2c(c1)NC(C)C(CCN)O2.
What is the InChIKey of 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
The InChIKey is PBKHGVDUXFCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)11-4-5-14-12(8-11)16-10(3)13(17-14)6-7-15/h4-5,8-10,13,16H,6-7,15H2,1-3H3.
What are the key properties of 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine?
2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine is sourced from PubChem (CID 84627917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).