2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine

C19H21FN4 — CID 134134106

IUPAC2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
SMILESCc1ccc(F)cc1[C@@H]1C/C(=N\N=C(N)N)c2c(C)cccc2C1
InChIInChI=1S/C19H21FN4/c1-11-6-7-15(20)10-16(11)14-8-13-5-3-4-12(2)18(13)17(9-14)23-24-19(21)22/h3-7,10,14H,8-9H2,1-2H3,(H4,21,22,24)/b23-17+/t14-/m0/s1
InChIKeyUYWUYWVHLMJGJO-WYOZQYPVSA-N
MW324.40 g/mol
LogP3.15
Rot. Bonds2

About 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine

2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine (PubChem CID 134134106) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
PubChem CID134134106
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
SMILESCc1ccc(F)cc1[C@@H]1C/C(=N\N=C(N)N)c2c(C)cccc2C1
InChIInChI=1S/C19H21FN4/c1-11-6-7-15(20)10-16(11)14-8-13-5-3-4-12(2)18(13)17(9-14)23-24-19(21)22/h3-7,10,14H,8-9H2,1-2H3,(H4,21,22,24)/b23-17+/t14-/m0/s1
InChIKeyUYWUYWVHLMJGJO-WYOZQYPVSA-N
XLogP3.15
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine (CID 134134106) is 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine is Cc1ccc(F)cc1[C@@H]1C/C(=N\N=C(N)N)c2c(C)cccc2C1.
What is the InChIKey of 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The InChIKey is UYWUYWVHLMJGJO-WYOZQYPVSA-N. The full InChI is InChI=1S/C19H21FN4/c1-11-6-7-15(20)10-16(11)14-8-13-5-3-4-12(2)18(13)17(9-14)23-24-19(21)22/h3-7,10,14H,8-9H2,1-2H3,(H4,21,22,24)/b23-17+/t14-/m0/s1.
What are the key properties of 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine has a molecular weight of 324.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine is sourced from PubChem (CID 134134106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).