[3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite

C14H15FNPS — CID 176995257

IUPAC[3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite
SMILESFSc1cccc(CNC(P)c2ccccc2)c1
InChIInChI=1S/C14H15FNPS/c15-18-13-8-4-5-11(9-13)10-16-14(17)12-6-2-1-3-7-12/h1-9,14,16H,10,17H2
InChIKeyDJABBZAPSZGCTR-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.33
Rot. Bonds5

About [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite

[3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite (PubChem CID 176995257) has the molecular formula C14H15FNPS and a molecular weight of 279.32 g/mol. Its IUPAC name is [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite.

Molecular Properties

Compound Name[3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite
PubChem CID176995257
Molecular FormulaC14H15FNPS
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name[3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite
SMILESFSc1cccc(CNC(P)c2ccccc2)c1
InChIInChI=1S/C14H15FNPS/c15-18-13-8-4-5-11(9-13)10-16-14(17)12-6-2-1-3-7-12/h1-9,14,16H,10,17H2
InChIKeyDJABBZAPSZGCTR-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine
CID 176995036
N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine
CID 176994926
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
1-(3-methoxyphenyl)-1-phosphanyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 176995369
N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine
CID 176995140
(Z)-1-[amino(butyl)amino]-4-[3-[(benzylamino)-phosphanylmethyl]phenyl]but-1-en-2-amine
CID 176994901
1-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 66347490
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346908
N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347703
[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
CID 107230552
N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 62046972
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844

Frequently Asked Questions

What is the IUPAC name of [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite?
The IUPAC name of [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite (CID 176995257) is [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite.
What is the SMILES notation for [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite?
The canonical SMILES for [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite is FSc1cccc(CNC(P)c2ccccc2)c1.
What is the InChIKey of [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite?
The InChIKey is DJABBZAPSZGCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FNPS/c15-18-13-8-4-5-11(9-13)10-16-14(17)12-6-2-1-3-7-12/h1-9,14,16H,10,17H2.
What are the key properties of [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite?
[3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite has a molecular weight of 279.32 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite is sourced from PubChem (CID 176995257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).