[phenyl-(4-propoxyphenyl)azaniumylidene]azanide

C15H16N2O — CID 140987604

IUPAC[phenyl-(4-propoxyphenyl)azaniumylidene]azanide
SMILESCCCOc1ccc([N+](=[N-])c2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c1-2-12-18-15-10-8-14(9-11-15)17(16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyZIVJGFHSJNCMPI-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.33
Rot. Bonds5

About [phenyl-(4-propoxyphenyl)azaniumylidene]azanide

[phenyl-(4-propoxyphenyl)azaniumylidene]azanide (PubChem CID 140987604) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is [phenyl-(4-propoxyphenyl)azaniumylidene]azanide.

Molecular Properties

Compound Name[phenyl-(4-propoxyphenyl)azaniumylidene]azanide
PubChem CID140987604
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name[phenyl-(4-propoxyphenyl)azaniumylidene]azanide
SMILESCCCOc1ccc([N+](=[N-])c2ccccc2)cc1
InChIInChI=1S/C15H16N2O/c1-2-12-18-15-10-8-14(9-11-15)17(16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyZIVJGFHSJNCMPI-UHFFFAOYSA-N
XLogP4.33
TPSA34.54 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
ethoxybenzene;propoxybenzene
CID 67747691
1-phenylmethoxy-4-propoxybenzene
CID 10728874
magnesium;ethane;propoxybenzene;bromide
CID 175337245
propoxybenzene;sulfur dioxide
CID 174403655
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
CID 57452703
CID 57452703
1,4-dibutoxybenzene;phenol
CID 174756360
pentoxybenzene;undecane
CID 174778179
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104

Frequently Asked Questions

What is the IUPAC name of [phenyl-(4-propoxyphenyl)azaniumylidene]azanide?
The IUPAC name of [phenyl-(4-propoxyphenyl)azaniumylidene]azanide (CID 140987604) is [phenyl-(4-propoxyphenyl)azaniumylidene]azanide.
What is the SMILES notation for [phenyl-(4-propoxyphenyl)azaniumylidene]azanide?
The canonical SMILES for [phenyl-(4-propoxyphenyl)azaniumylidene]azanide is CCCOc1ccc([N+](=[N-])c2ccccc2)cc1.
What is the InChIKey of [phenyl-(4-propoxyphenyl)azaniumylidene]azanide?
The InChIKey is ZIVJGFHSJNCMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-12-18-15-10-8-14(9-11-15)17(16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of [phenyl-(4-propoxyphenyl)azaniumylidene]azanide?
[phenyl-(4-propoxyphenyl)azaniumylidene]azanide has a molecular weight of 240.31 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(4-propoxyphenyl)azaniumylidene]azanide is sourced from PubChem (CID 140987604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).