4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol

C16H26N2O2 — CID 82340098

IUPAC4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol
SMILESCC(C)CN1CCOc2ccc(C(O)CCCN)cc21
InChIInChI=1S/C16H26N2O2/c1-12(2)11-18-8-9-20-16-6-5-13(10-14(16)18)15(19)4-3-7-17/h5-6,10,12,15,19H,3-4,7-9,11,17H2,1-2H3
InChIKeyRWJRYPGCRNEBEC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.31
Rot. Bonds6

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

4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol (PubChem CID 82340098) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol.

Molecular Properties

Compound Name4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol
PubChem CID82340098
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol
SMILESCC(C)CN1CCOc2ccc(C(O)CCCN)cc21
InChIInChI=1S/C16H26N2O2/c1-12(2)11-18-8-9-20-16-6-5-13(10-14(16)18)15(19)4-3-7-17/h5-6,10,12,15,19H,3-4,7-9,11,17H2,1-2H3
InChIKeyRWJRYPGCRNEBEC-UHFFFAOYSA-N
XLogP2.31
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol with MolForge

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Related Compounds

4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
CID 82340154
3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340030
(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 95941519
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521
2-chloro-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82340103
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
CID 117236074
1-[6-(4-amino-1-hydroxybutyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 82340785
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
CID 117236081
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82096930
1-[5-(4-amino-1-hydroxybutyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340987
6-(4-amino-1-hydroxybutyl)-2-methyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82339789

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol?
The IUPAC name of 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol (CID 82340098) is 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol.
What is the SMILES notation for 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol?
The canonical SMILES for 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol is CC(C)CN1CCOc2ccc(C(O)CCCN)cc21.
What is the InChIKey of 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol?
The InChIKey is RWJRYPGCRNEBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)11-18-8-9-20-16-6-5-13(10-14(16)18)15(19)4-3-7-17/h5-6,10,12,15,19H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol?
4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol is sourced from PubChem (CID 82340098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).