2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine

C14H22N2O — CID 82345869

IUPAC2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESCCCN1CC(C(C)C)Oc2cccc(N)c21
InChIInChI=1S/C14H22N2O/c1-4-8-16-9-13(10(2)3)17-12-7-5-6-11(15)14(12)16/h5-7,10,13H,4,8-9,15H2,1-3H3
InChIKeyQKFBRYQMWCJXNZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.90
Rot. Bonds3

About 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine

2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine (PubChem CID 82345869) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
PubChem CID82345869
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESCCCN1CC(C(C)C)Oc2cccc(N)c21
InChIInChI=1S/C14H22N2O/c1-4-8-16-9-13(10(2)3)17-12-7-5-6-11(15)14(12)16/h5-7,10,13H,4,8-9,15H2,1-3H3
InChIKeyQKFBRYQMWCJXNZ-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345878
2-(5-amino-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 82345860
4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345521
2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340486
2-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345735
5-amino-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346236
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
5-amino-4-[2-(dimethylamino)ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346249
ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82345714
3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine
CID 82340510
5-amino-4-(2-methylprop-2-enyl)-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346244

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The IUPAC name of 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine (CID 82345869) is 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine.
What is the SMILES notation for 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The canonical SMILES for 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine is CCCN1CC(C(C)C)Oc2cccc(N)c21.
What is the InChIKey of 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The InChIKey is QKFBRYQMWCJXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-8-16-9-13(10(2)3)17-12-7-5-6-11(15)14(12)16/h5-7,10,13H,4,8-9,15H2,1-3H3.
What are the key properties of 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine?
2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine has a molecular weight of 234.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine is sourced from PubChem (CID 82345869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).