azane;phosphorosomethylbenzene

C7H13N2OP — CID 70284347

IUPACazane;phosphorosomethylbenzene
SMILESN.N.O=PCc1ccccc1
InChIInChI=1S/C7H7OP.2H3N/c8-9-6-7-4-2-1-3-5-7;;/h1-5H,6H2;2*1H3
InChIKeyDCDGFXRDYSBRCB-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.80
Rot. Bonds2

About azane;phosphorosomethylbenzene

azane;phosphorosomethylbenzene (PubChem CID 70284347) has the molecular formula C7H13N2OP and a molecular weight of 172.17 g/mol. Its IUPAC name is azane;phosphorosomethylbenzene.

Molecular Properties

Compound Nameazane;phosphorosomethylbenzene
PubChem CID70284347
Molecular FormulaC7H13N2OP
Molecular Weight172.17 g/mol
Exact Mass172.08
IUPAC Nameazane;phosphorosomethylbenzene
SMILESN.N.O=PCc1ccccc1
InChIInChI=1S/C7H7OP.2H3N/c8-9-6-7-4-2-1-3-5-7;;/h1-5H,6H2;2*1H3
InChIKeyDCDGFXRDYSBRCB-UHFFFAOYSA-N
XLogP2.80
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphorosomethylbenzene
CID 21189101
azane;2-phosphorosooxyethylbenzene
CID 69238979
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
tribenzylgallane
CID 15820404
2-phosphorosooxyethylbenzene
CID 23393054
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
2-phenylethylbenzene;phosphorosooxybenzene
CID 68973747
CID 66734377
CID 66734377
azane;phenylmethanol;hydrochloride
CID 173141367
hafnium;2-phenylethylbenzene
CID 173109801
azane;phenylmethanesulfonamide
CID 67842568

Frequently Asked Questions

What is the IUPAC name of azane;phosphorosomethylbenzene?
The IUPAC name of azane;phosphorosomethylbenzene (CID 70284347) is azane;phosphorosomethylbenzene.
What is the SMILES notation for azane;phosphorosomethylbenzene?
The canonical SMILES for azane;phosphorosomethylbenzene is N.N.O=PCc1ccccc1.
What is the InChIKey of azane;phosphorosomethylbenzene?
The InChIKey is DCDGFXRDYSBRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7OP.2H3N/c8-9-6-7-4-2-1-3-5-7;;/h1-5H,6H2;2*1H3.
What are the key properties of azane;phosphorosomethylbenzene?
azane;phosphorosomethylbenzene has a molecular weight of 172.17 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphorosomethylbenzene is sourced from PubChem (CID 70284347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).