4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol

C15H24N2O2 — CID 82340154

IUPAC4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
SMILESCC(C)N1CCOc2ccc(C(O)CCCN)cc21
InChIInChI=1S/C15H24N2O2/c1-11(2)17-8-9-19-15-6-5-12(10-13(15)17)14(18)4-3-7-16/h5-6,10-11,14,18H,3-4,7-9,16H2,1-2H3
InChIKeyBXSFAZGYSKPDQL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds5

About 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol

4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol (PubChem CID 82340154) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
PubChem CID82340154
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
SMILESCC(C)N1CCOc2ccc(C(O)CCCN)cc21
InChIInChI=1S/C15H24N2O2/c1-11(2)17-8-9-19-15-6-5-12(10-13(15)17)14(18)4-3-7-16/h5-6,10-11,14,18H,3-4,7-9,16H2,1-2H3
InChIKeyBXSFAZGYSKPDQL-UHFFFAOYSA-N
XLogP2.07
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol (CID 82340154) is 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol is CC(C)N1CCOc2ccc(C(O)CCCN)cc21.
What is the InChIKey of 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol?
The InChIKey is BXSFAZGYSKPDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-8-9-19-15-6-5-12(10-13(15)17)14(18)4-3-7-16/h5-6,10-11,14,18H,3-4,7-9,16H2,1-2H3.
What are the key properties of 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol?
4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol is sourced from PubChem (CID 82340154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).