2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine

C10H13ClN4O — CID 8825931

IUPAC2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
SMILESCOc1ccc(Cl)cc1/C(C)=N\N=C(N)N
InChIInChI=1S/C10H13ClN4O/c1-6(14-15-10(12)13)8-5-7(11)3-4-9(8)16-2/h3-5H,1-2H3,(H4,12,13,15)/b14-6-
InChIKeyVUESKGSALFHCIP-NSIKDUERSA-N
MW240.69 g/mol
LogP1.35
Rot. Bonds3

About 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine

2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine (PubChem CID 8825931) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
PubChem CID8825931
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
SMILESCOc1ccc(Cl)cc1/C(C)=N\N=C(N)N
InChIInChI=1S/C10H13ClN4O/c1-6(14-15-10(12)13)8-5-7(11)3-4-9(8)16-2/h3-5H,1-2H3,(H4,12,13,15)/b14-6-
InChIKeyVUESKGSALFHCIP-NSIKDUERSA-N
XLogP1.35
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine
CID 140813804
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444
5-chloro-2-methoxybenzoate
CID 6933314
4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
CID 3015769
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
CID 8826053
2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
CID 9058052
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine
CID 9058020
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
2-[(5-chloro-2-methoxyphenyl)methyl]guanidine
CID 82284451
2-(5-chloro-2-methoxyphenyl)-3-methylbut-2-enenitrile
CID 82080163

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine (CID 8825931) is 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine is COc1ccc(Cl)cc1/C(C)=N\N=C(N)N.
What is the InChIKey of 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine?
The InChIKey is VUESKGSALFHCIP-NSIKDUERSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6(14-15-10(12)13)8-5-7(11)3-4-9(8)16-2/h3-5H,1-2H3,(H4,12,13,15)/b14-6-.
What are the key properties of 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine?
2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine has a molecular weight of 240.69 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 8825931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).