1-amino-3-(3-ethylphenyl)-2-phenylguanidine

C15H18N4 — CID 116512544

IUPAC1-amino-3-(3-ethylphenyl)-2-phenylguanidine
SMILESCCc1cccc(N/C(=N/c2ccccc2)NN)c1
InChIInChI=1S/C15H18N4/c1-2-12-7-6-10-14(11-12)18-15(19-16)17-13-8-4-3-5-9-13/h3-11H,2,16H2,1H3,(H2,17,18,19)
InChIKeyHSJZYBJDVUXVDM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.81
Rot. Bonds3

About 1-amino-3-(3-ethylphenyl)-2-phenylguanidine

1-amino-3-(3-ethylphenyl)-2-phenylguanidine (PubChem CID 116512544) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-amino-3-(3-ethylphenyl)-2-phenylguanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethylphenyl)-2-phenylguanidine
PubChem CID116512544
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-amino-3-(3-ethylphenyl)-2-phenylguanidine
SMILESCCc1cccc(N/C(=N/c2ccccc2)NN)c1
InChIInChI=1S/C15H18N4/c1-2-12-7-6-10-14(11-12)18-15(19-16)17-13-8-4-3-5-9-13/h3-11H,2,16H2,1H3,(H2,17,18,19)
InChIKeyHSJZYBJDVUXVDM-UHFFFAOYSA-N
XLogP2.81
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
1-(3-ethylphenyl)-2-[3-(trifluoromethylsulfanyl)phenyl]guanidine
CID 54391573
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
(3-ethylphenyl)hydrazine;sulfuric acid
CID 138619674
1-amino-3-(4-bromo-3-fluorophenyl)-2-phenylguanidine
CID 116515463
1-amino-2-(2-chloro-6-methylphenyl)-3-phenylguanidine
CID 116515718
1-amino-3-(3-bromo-4-methoxyphenyl)-2-phenylguanidine
CID 116515380
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
CID 143798089
1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine
CID 116514295
1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
CID 139704563

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethylphenyl)-2-phenylguanidine?
The IUPAC name of 1-amino-3-(3-ethylphenyl)-2-phenylguanidine (CID 116512544) is 1-amino-3-(3-ethylphenyl)-2-phenylguanidine.
What is the SMILES notation for 1-amino-3-(3-ethylphenyl)-2-phenylguanidine?
The canonical SMILES for 1-amino-3-(3-ethylphenyl)-2-phenylguanidine is CCc1cccc(N/C(=N/c2ccccc2)NN)c1.
What is the InChIKey of 1-amino-3-(3-ethylphenyl)-2-phenylguanidine?
The InChIKey is HSJZYBJDVUXVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-12-7-6-10-14(11-12)18-15(19-16)17-13-8-4-3-5-9-13/h3-11H,2,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-3-(3-ethylphenyl)-2-phenylguanidine?
1-amino-3-(3-ethylphenyl)-2-phenylguanidine has a molecular weight of 254.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethylphenyl)-2-phenylguanidine is sourced from PubChem (CID 116512544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).