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

C12H18N2O2 — CID 95941519

IUPAC(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
SMILESCN1CCOc2ccc([C@@H](O)CCN)cc21
InChIInChI=1S/C12H18N2O2/c1-14-6-7-16-12-3-2-9(8-10(12)14)11(15)4-5-13/h2-3,8,11,15H,4-7,13H2,1H3/t11-/m0/s1
InChIKeyMFZUWMJQXOTJJP-NSHDSACASA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds3

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

(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol (PubChem CID 95941519) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
PubChem CID95941519
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
SMILESCN1CCOc2ccc([C@@H](O)CCN)cc21
InChIInChI=1S/C12H18N2O2/c1-14-6-7-16-12-3-2-9(8-10(12)14)11(15)4-5-13/h2-3,8,11,15H,4-7,13H2,1H3/t11-/m0/s1
InChIKeyMFZUWMJQXOTJJP-NSHDSACASA-N
XLogP0.90
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521
3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340030
4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
CID 82340154
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol
CID 82340098
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
7-[1-hydroxy-3-(methylamino)propyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501430
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340016
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The IUPAC name of (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol (CID 95941519) is (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol is CN1CCOc2ccc([C@@H](O)CCN)cc21.
What is the InChIKey of (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
The InChIKey is MFZUWMJQXOTJJP-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-6-7-16-12-3-2-9(8-10(12)14)11(15)4-5-13/h2-3,8,11,15H,4-7,13H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol?
(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol is sourced from PubChem (CID 95941519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).