2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine

C17H21N5O — CID 178024710

IUPAC2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine
SMILESCC(N)/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H21N5O/c1-12(18)16(21-22-17(19)20)14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11,18H2,1H3,(H4,19,20,22)/b21-16+
InChIKeyASGBYQVUMJPBKZ-LTGZKZEYSA-N
MW311.39 g/mol
LogP1.59
Rot. Bonds6

About 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine

2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine (PubChem CID 178024710) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine
PubChem CID178024710
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine
SMILESCC(N)/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H21N5O/c1-12(18)16(21-22-17(19)20)14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11,18H2,1H3,(H4,19,20,22)/b21-16+
InChIKeyASGBYQVUMJPBKZ-LTGZKZEYSA-N
XLogP1.59
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine
CID 45049782
2-[(Z)-[(1-amino-2-methylcyclopropyl)-(4-phenylmethoxyphenyl)methylidene]amino]guanidine
CID 178024650
3-(4-phenylmethoxyphenyl)butanethioamide
CID 83932935
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
4-phenylmethoxy-N'-propylbenzenecarboximidamide
CID 57153315
[4-[1-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone
CID 18988707
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
(2S)-2-amino-3-(4-phenylmethoxyphenyl)propane-1,1-diol
CID 130242612
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
4-phenylmethoxybenzoic acid
CID 68896574
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine (CID 178024710) is 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine is CC(N)/C(=N\N=C(N)N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine?
The InChIKey is ASGBYQVUMJPBKZ-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12(18)16(21-22-17(19)20)14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10,12H,11,18H2,1H3,(H4,19,20,22)/b21-16+.
What are the key properties of 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine?
2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine has a molecular weight of 311.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine is sourced from PubChem (CID 178024710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).