4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine

C15H15FN2O — CID 82345565

IUPAC4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESNc1cccc2c1N(Cc1cccc(F)c1)CCO2
InChIInChI=1S/C15H15FN2O/c16-12-4-1-3-11(9-12)10-18-7-8-19-14-6-2-5-13(17)15(14)18/h1-6,9H,7-8,10,17H2
InChIKeySDXRNLVUELEHKX-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.81
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine

4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine (PubChem CID 82345565) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
PubChem CID82345565
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESNc1cccc2c1N(Cc1cccc(F)c1)CCO2
InChIInChI=1S/C15H15FN2O/c16-12-4-1-3-11(9-12)10-18-7-8-19-14-6-2-5-13(17)15(14)18/h1-6,9H,7-8,10,17H2
InChIKeySDXRNLVUELEHKX-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.81
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-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345504
4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345521
methyl 4-[(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate
CID 82345508
3-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)aniline
CID 119030808
4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine
CID 146274015
4-[(3-fluorophenyl)methyl]-N-[1-(4-methylphenyl)cyclopropyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-amine
CID 146273986
2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-1-piperidin-1-ylethanone
CID 82345450
(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
CID 177336609
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-chloro-5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)aniline
CID 117221511
methyl 4-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)butanoate
CID 82345571
2-[(3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017935

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine (CID 82345565) is 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine is Nc1cccc2c1N(Cc1cccc(F)c1)CCO2.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine?
The InChIKey is SDXRNLVUELEHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-12-4-1-3-11(9-12)10-18-7-8-19-14-6-2-5-13(17)15(14)18/h1-6,9H,7-8,10,17H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine?
4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine has a molecular weight of 258.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine is sourced from PubChem (CID 82345565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).