3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine

C18H21FN2O — CID 143696271

IUPAC3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine
SMILESCNCCCC1Cc2ccccc2N(c2ccccc2F)O1
InChIInChI=1S/C18H21FN2O/c1-20-12-6-8-15-13-14-7-2-4-10-17(14)21(22-15)18-11-5-3-9-16(18)19/h2-5,7,9-11,15,20H,6,8,12-13H2,1H3
InChIKeyFUKUUAHLABDHJT-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.82
Rot. Bonds5

About 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine

3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine (PubChem CID 143696271) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine
PubChem CID143696271
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine
SMILESCNCCCC1Cc2ccccc2N(c2ccccc2F)O1
InChIInChI=1S/C18H21FN2O/c1-20-12-6-8-15-13-14-7-2-4-10-17(14)21(22-15)18-11-5-3-9-16(18)19/h2-5,7,9-11,15,20H,6,8,12-13H2,1H3
InChIKeyFUKUUAHLABDHJT-UHFFFAOYSA-N
XLogP3.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2,4-difluorophenyl)-6-fluoro-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine
CID 143696256
3-[1-(2,5-difluorophenyl)-6-fluoro-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine
CID 143696270
N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine
CID 143696230
3-[1-(2-fluorophenyl)-2,2-dihydroxy-4,2λ4,1-benzoxathiazin-3-yl]-N-methylpropan-1-amine
CID 69260040
3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830
4-[1-(2-fluorophenyl)-2,2-dihydroxy-4H-2λ4,1,3-benzothiadiazin-3-yl]-N-methylbutan-1-amine
CID 68584140
3-[(3S)-6-fluoro-2,2-dihydroxy-1-(2-methylphenyl)-3,4-dihydro-2λ4,1-benzothiazin-3-yl]-N-methylpropan-1-amine
CID 69260799
3-[(3S)-6-fluoro-1-(2-fluorophenyl)-2,2-dihydroxy-4,2λ4,1-benzoxathiazin-3-yl]-N-methylpropan-1-amine;hydrochloride
CID 69271410
1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 69305108
8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one
CID 165441355
3-[1-(2,6-difluorophenyl)-6-fluoro-2,2-dihydroxy-3,4-dihydro-2λ4,1-benzothiazin-3-yl]-N-methylpropan-1-amine
CID 69260217
3-[(3S)-6-fluoro-1-(2-fluorophenyl)-2,2-dioxo-4,2λ6,1-benzoxathiazin-3-yl]-N-methylpropan-1-amine;hydrochloride
CID 69259331

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine (CID 143696271) is 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine is CNCCCC1Cc2ccccc2N(c2ccccc2F)O1.
What is the InChIKey of 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine?
The InChIKey is FUKUUAHLABDHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-20-12-6-8-15-13-14-7-2-4-10-17(14)21(22-15)18-11-5-3-9-16(18)19/h2-5,7,9-11,15,20H,6,8,12-13H2,1H3.
What are the key properties of 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine?
3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine has a molecular weight of 300.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 143696271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).