1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride

C19H19ClFN3 — CID 22121814

IUPAC1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride
SMILESCCc1ccc(F)c(N/C(N)=N/c2cccc3ccccc23)c1.Cl
InChIInChI=1S/C19H18FN3.ClH/c1-2-13-10-11-16(20)18(12-13)23-19(21)22-17-9-5-7-14-6-3-4-8-15(14)17;/h3-12H,2H2,1H3,(H3,21,22,23);1H
InChIKeyPQGBSGOYUJVQEK-UHFFFAOYSA-N
MW343.83 g/mol
LogP5.02
Rot. Bonds3

About 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride

1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride (PubChem CID 22121814) has the molecular formula C19H19ClFN3 and a molecular weight of 343.83 g/mol. Its IUPAC name is 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride
PubChem CID22121814
Molecular FormulaC19H19ClFN3
Molecular Weight343.83 g/mol
Exact Mass343.13
IUPAC Name1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride
SMILESCCc1ccc(F)c(N/C(N)=N/c2cccc3ccccc23)c1.Cl
InChIInChI=1S/C19H18FN3.ClH/c1-2-13-10-11-16(20)18(12-13)23-19(21)22-17-9-5-7-14-6-3-4-8-15(14)17;/h3-12H,2H2,1H3,(H3,21,22,23);1H
InChIKeyPQGBSGOYUJVQEK-UHFFFAOYSA-N
XLogP5.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.83
LogP ≤ 55.02
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

1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
CID 18751798
1-(2-fluoro-5-methylphenyl)-2-(4-fluoronaphthalen-1-yl)guanidine
CID 154084915
1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 22120056
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
CID 139704563
1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 18751970
2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 18751670
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
1-(2-chloro-5-methanethioylphenyl)-2-naphthalen-1-ylguanidine;hydrochloride
CID 22121785
2-(2-bromo-3-methylphenyl)-1-naphthalen-1-ylguanidine
CID 139844863
1-(5-ethyl-2-fluorophenyl)naphthalene
CID 90266640
2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine
CID 142680141

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride?
The IUPAC name of 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride (CID 22121814) is 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride.
What is the SMILES notation for 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride?
The canonical SMILES for 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride is CCc1ccc(F)c(N/C(N)=N/c2cccc3ccccc23)c1.Cl.
What is the InChIKey of 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride?
The InChIKey is PQGBSGOYUJVQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3.ClH/c1-2-13-10-11-16(20)18(12-13)23-19(21)22-17-9-5-7-14-6-3-4-8-15(14)17;/h3-12H,2H2,1H3,(H3,21,22,23);1H.
What are the key properties of 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride?
1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-fluorophenyl)-2-naphthalen-1-ylguanidine;hydrochloride is sourced from PubChem (CID 22121814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).