N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine

C15H14FN3Se — CID 114828808

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
SMILESCC(Cc1ccccc1F)Nc1cccc2c1N=[Se]=N2
InChIInChI=1S/C15H14FN3Se/c1-10(9-11-5-2-3-6-12(11)16)17-13-7-4-8-14-15(13)19-20-18-14/h2-8,10,17H,9H2,1H3
InChIKeyDUWHBFDQXHUWRC-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.22
Rot. Bonds4

About N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine

N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine (PubChem CID 114828808) has the molecular formula C15H14FN3Se and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
PubChem CID114828808
Molecular FormulaC15H14FN3Se
Molecular Weight334.26 g/mol
Exact Mass335.03
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
SMILESCC(Cc1ccccc1F)Nc1cccc2c1N=[Se]=N2
InChIInChI=1S/C15H14FN3Se/c1-10(9-11-5-2-3-6-12(11)16)17-13-7-4-8-14-15(13)19-20-18-14/h2-8,10,17H,9H2,1H3
InChIKeyDUWHBFDQXHUWRC-UHFFFAOYSA-N
XLogP4.22
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine with MolForge

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114829477
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828280
4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 107787388
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
CID 114828418
2-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114829049
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine (CID 114828808) is N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine is CC(Cc1ccccc1F)Nc1cccc2c1N=[Se]=N2.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?
The InChIKey is DUWHBFDQXHUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3Se/c1-10(9-11-5-2-3-6-12(11)16)17-13-7-4-8-14-15(13)19-20-18-14/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine?
N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine is sourced from PubChem (CID 114828808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).