1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride

C19H24ClN5O2 — CID 157053375

IUPAC1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCCOc1ccc(C=NN=C(N)NN=Cc2ccc(OCC)cc2)cc1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-3-25-17-9-5-15(6-10-17)13-21-23-19(20)24-22-14-16-7-11-18(12-8-16)26-4-2;/h5-14H,3-4H2,1-2H3,(H3,20,23,24);1H
InChIKeyAUXVTPBKGWQDAR-UHFFFAOYSA-N
MW389.89 g/mol
LogP3.18
Rot. Bonds8

About 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride

1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 157053375) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID157053375
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCCOc1ccc(C=NN=C(N)NN=Cc2ccc(OCC)cc2)cc1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-3-25-17-9-5-15(6-10-17)13-21-23-19(20)24-22-14-16-7-11-18(12-8-16)26-4-2;/h5-14H,3-4H2,1-2H3,(H3,20,23,24);1H
InChIKeyAUXVTPBKGWQDAR-UHFFFAOYSA-N
XLogP3.18
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-(4-butoxyphenyl)methylideneamino]-1-[(E)-(4-pentoxyphenyl)methylideneamino]guanidine
CID 172923446
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1,2-bis[(E)-[4-(4-propylphenoxy)phenyl]methylideneamino]guanidine
CID 172983389
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
1,2-bis[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 21497899
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(4-fluorophenyl)methylideneamino]guanidine
CID 2222853

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride (CID 157053375) is 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride is CCOc1ccc(C=NN=C(N)NN=Cc2ccc(OCC)cc2)cc1.Cl.
What is the InChIKey of 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is AUXVTPBKGWQDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.ClH/c1-3-25-17-9-5-15(6-10-17)13-21-23-19(20)24-22-14-16-7-11-18(12-8-16)26-4-2;/h5-14H,3-4H2,1-2H3,(H3,20,23,24);1H.
What are the key properties of 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride?
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 389.89 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 157053375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).