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

C17H28N2O2 — CID 82340486

IUPAC2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
SMILESCCCN1CC(C(C)C)Oc2ccc(C(O)C(C)N)cc21
InChIInChI=1S/C17H28N2O2/c1-5-8-19-10-16(11(2)3)21-15-7-6-13(9-14(15)19)17(20)12(4)18/h6-7,9,11-12,16-17,20H,5,8,10,18H2,1-4H3
InChIKeyXGUWNJAMSDEWME-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.70
Rot. Bonds5

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

2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol (PubChem CID 82340486) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
PubChem CID82340486
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
SMILESCCCN1CC(C(C)C)Oc2ccc(C(O)C(C)N)cc21
InChIInChI=1S/C17H28N2O2/c1-5-8-19-10-16(11(2)3)21-15-7-6-13(9-14(15)19)17(20)12(4)18/h6-7,9,11-12,16-17,20H,5,8,10,18H2,1-4H3
InChIKeyXGUWNJAMSDEWME-UHFFFAOYSA-N
XLogP2.70
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol (CID 82340486) is 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol is CCCN1CC(C(C)C)Oc2ccc(C(O)C(C)N)cc21.
What is the InChIKey of 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The InChIKey is XGUWNJAMSDEWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-8-19-10-16(11(2)3)21-15-7-6-13(9-14(15)19)17(20)12(4)18/h6-7,9,11-12,16-17,20H,5,8,10,18H2,1-4H3.
What are the key properties of 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol is sourced from PubChem (CID 82340486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).