2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

C19H25Cl2N3 — CID 45262109

IUPAC2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2cc(CC)cc(CC)c2Cl)c1.Cl
InChIInChI=1S/C19H24ClN3.ClH/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20;/h7-12H,4-6H2,1-3H3,(H3,21,22,23);1H
InChIKeyRQJMAWZPBTZWJU-UHFFFAOYSA-N
MW366.34 g/mol
LogP5.51
Rot. Bonds5

About 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride

2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (PubChem CID 45262109) has the molecular formula C19H25Cl2N3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
PubChem CID45262109
Molecular FormulaC19H25Cl2N3
Molecular Weight366.34 g/mol
Exact Mass365.14
IUPAC Name2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
SMILESCCc1cccc(N/C(N)=N/c2cc(CC)cc(CC)c2Cl)c1.Cl
InChIInChI=1S/C19H24ClN3.ClH/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20;/h7-12H,4-6H2,1-3H3,(H3,21,22,23);1H
InChIKeyRQJMAWZPBTZWJU-UHFFFAOYSA-N
XLogP5.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
CID 139704563
2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine
CID 174348474
1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
CID 18751798
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride (CID 45262109) is 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is CCc1cccc(N/C(N)=N/c2cc(CC)cc(CC)c2Cl)c1.Cl.
What is the InChIKey of 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
The InChIKey is RQJMAWZPBTZWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3.ClH/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20;/h7-12H,4-6H2,1-3H3,(H3,21,22,23);1H.
What are the key properties of 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride?
2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride has a molecular weight of 366.34 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride is sourced from PubChem (CID 45262109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).