2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine

C12H18N2O — CID 82143048

IUPAC2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCc1ccc2c(c1)OCCN2C(C)CN
InChIInChI=1S/C12H18N2O/c1-9-3-4-11-12(7-9)15-6-5-14(11)10(2)8-13/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyQVQYHEFNBHXPQA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds2

About 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine

2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (PubChem CID 82143048) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
PubChem CID82143048
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCc1ccc2c(c1)OCCN2C(C)CN
InChIInChI=1S/C12H18N2O/c1-9-3-4-11-12(7-9)15-6-5-14(11)10(2)8-13/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyQVQYHEFNBHXPQA-UHFFFAOYSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The IUPAC name of 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (CID 82143048) is 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.
What is the SMILES notation for 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The canonical SMILES for 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is Cc1ccc2c(c1)OCCN2C(C)CN.
What is the InChIKey of 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The InChIKey is QVQYHEFNBHXPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-3-4-11-12(7-9)15-6-5-14(11)10(2)8-13/h3-4,7,10H,5-6,8,13H2,1-2H3.
What are the key properties of 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is sourced from PubChem (CID 82143048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).