2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol

C18H20FNO2 — CID 82229437

IUPAC2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol
SMILESCCCN1CC(Cc2cccc(F)c2)Oc2ccc(O)cc21
InChIInChI=1S/C18H20FNO2/c1-2-8-20-12-16(10-13-4-3-5-14(19)9-13)22-18-7-6-15(21)11-17(18)20/h3-7,9,11,16,21H,2,8,10,12H2,1H3
InChIKeyGJMZCNKBFOBOEX-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.75
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol

2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol (PubChem CID 82229437) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol
PubChem CID82229437
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol
SMILESCCCN1CC(Cc2cccc(F)c2)Oc2ccc(O)cc21
InChIInChI=1S/C18H20FNO2/c1-2-8-20-12-16(10-13-4-3-5-14(19)9-13)22-18-7-6-15(21)11-17(18)20/h3-7,9,11,16,21H,2,8,10,12H2,1H3
InChIKeyGJMZCNKBFOBOEX-UHFFFAOYSA-N
XLogP3.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-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

4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol
CID 82229519
3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340461
2-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229483
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 82354946
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
CID 45206506
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 110138342
2-methyl-6-(piperidin-3-ylmethyl)-4-propyl-2,3-dihydro-1,4-benzoxazine
CID 82340228
2-[5-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061594
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol (CID 82229437) is 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol is CCCN1CC(Cc2cccc(F)c2)Oc2ccc(O)cc21.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol?
The InChIKey is GJMZCNKBFOBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-2-8-20-12-16(10-13-4-3-5-14(19)9-13)22-18-7-6-15(21)11-17(18)20/h3-7,9,11,16,21H,2,8,10,12H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol?
2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol has a molecular weight of 301.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-propyl-2,3-dihydro-1,4-benzoxazin-6-ol is sourced from PubChem (CID 82229437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).