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

C15H24N2O — CID 82142991

IUPAC2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCC1CN(C(C)CN)c2cc(C(C)C)ccc2O1
InChIInChI=1S/C15H24N2O/c1-10(2)13-5-6-15-14(7-13)17(11(3)8-16)9-12(4)18-15/h5-7,10-12H,8-9,16H2,1-4H3
InChIKeyFENBGZYTCVKOTQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.74
Rot. Bonds3

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

2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (PubChem CID 82142991) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
PubChem CID82142991
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCC1CN(C(C)CN)c2cc(C(C)C)ccc2O1
InChIInChI=1S/C15H24N2O/c1-10(2)13-5-6-15-14(7-13)17(11(3)8-16)9-12(4)18-15/h5-7,10-12H,8-9,16H2,1-4H3
InChIKeyFENBGZYTCVKOTQ-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-amine
CID 82142993
2-(2,2-dimethyl-6-propan-2-yl-3H-1,4-benzoxazin-4-yl)propan-1-amine
CID 82142990
2-(6-tert-butyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82142986
1-[6-(3-amino-1-hydroxypropyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methylpropan-1-one
CID 82340853
[2-methyl-4-(1-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339068
1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 82354946
4-(2-aminoethyl)-2,6-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82142319
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 134391362
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
CID 82096688
2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
CID 82143067
1-[6-(4-amino-1-hydroxybutyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 82340785
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The IUPAC name of 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (CID 82142991) is 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is CC1CN(C(C)CN)c2cc(C(C)C)ccc2O1.
What is the InChIKey of 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The InChIKey is FENBGZYTCVKOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)13-5-6-15-14(7-13)17(11(3)8-16)9-12(4)18-15/h5-7,10-12H,8-9,16H2,1-4H3.
What are the key properties of 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is sourced from PubChem (CID 82142991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).