[4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite

C17H21FNOPS — CID 176995168

IUPAC[4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite
SMILESCC(C)Oc1ccc(C(P)NCc2ccc(SF)cc2)cc1
InChIInChI=1S/C17H21FNOPS/c1-12(2)20-15-7-5-14(6-8-15)17(21)19-11-13-3-9-16(22-18)10-4-13/h3-10,12,17,19H,11,21H2,1-2H3
InChIKeyZJGJBLIFQNUDGY-UHFFFAOYSA-N
MW337.40 g/mol
LogP5.11
Rot. Bonds7

About [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite

[4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite (PubChem CID 176995168) has the molecular formula C17H21FNOPS and a molecular weight of 337.40 g/mol. Its IUPAC name is [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite.

Molecular Properties

Compound Name[4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite
PubChem CID176995168
Molecular FormulaC17H21FNOPS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name[4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite
SMILESCC(C)Oc1ccc(C(P)NCc2ccc(SF)cc2)cc1
InChIInChI=1S/C17H21FNOPS/c1-12(2)20-15-7-5-14(6-8-15)17(21)19-11-13-3-9-16(22-18)10-4-13/h3-10,12,17,19H,11,21H2,1-2H3
InChIKeyZJGJBLIFQNUDGY-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 176995208
N-[(4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415274
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
CID 43756540
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
CID 43792387
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 115640046
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799

Frequently Asked Questions

What is the IUPAC name of [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite?
The IUPAC name of [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite (CID 176995168) is [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite.
What is the SMILES notation for [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite?
The canonical SMILES for [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite is CC(C)Oc1ccc(C(P)NCc2ccc(SF)cc2)cc1.
What is the InChIKey of [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite?
The InChIKey is ZJGJBLIFQNUDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FNOPS/c1-12(2)20-15-7-5-14(6-8-15)17(21)19-11-13-3-9-16(22-18)10-4-13/h3-10,12,17,19H,11,21H2,1-2H3.
What are the key properties of [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite?
[4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite has a molecular weight of 337.40 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite is sourced from PubChem (CID 176995168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).