hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide

C20H23N5O — CID 142938635

IUPAChydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
SMILESNN.[H]/N=C(\N)c1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N3O.H4N2/c21-20(22)16-8-10-17(11-9-16)23-14-15-6-12-19(13-7-15)24-18-4-2-1-3-5-18;1-2/h1-13,23H,14H2,(H3,21,22);1-2H2
InChIKeyFPJOHUGPRCLNQT-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.19
Rot. Bonds6

About hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide

hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide (PubChem CID 142938635) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide.

Molecular Properties

Compound Namehydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
PubChem CID142938635
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Namehydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
SMILESNN.[H]/N=C(\N)c1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N3O.H4N2/c21-20(22)16-8-10-17(11-9-16)23-14-15-6-12-19(13-7-15)24-18-4-2-1-3-5-18;1-2/h1-13,23H,14H2,(H3,21,22);1-2H2
InChIKeyFPJOHUGPRCLNQT-UHFFFAOYSA-N
XLogP3.19
TPSA123.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazine;3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938542
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142223846
4-[[3-[[4-(N'-methylcarbamimidoyl)anilino]methyl]phenyl]methylamino]benzenecarboximidamide
CID 58652724
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
3,6-bis[(4-carbamimidoylphenyl)methylamino]pyrazine-2,5-dicarboxylic acid
CID 25177299
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
CID 174444931

Frequently Asked Questions

What is the IUPAC name of hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide?
The IUPAC name of hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide (CID 142938635) is hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide.
What is the SMILES notation for hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide?
The canonical SMILES for hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide is NN.[H]/N=C(\N)c1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide?
The InChIKey is FPJOHUGPRCLNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O.H4N2/c21-20(22)16-8-10-17(11-9-16)23-14-15-6-12-19(13-7-15)24-18-4-2-1-3-5-18;1-2/h1-13,23H,14H2,(H3,21,22);1-2H2.
What are the key properties of hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide?
hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide has a molecular weight of 349.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide is sourced from PubChem (CID 142938635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).