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

C18H19FN4 — CID 134152938

IUPAC2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
SMILESCc1ccc(F)cc1[C@@H]1C/C(=N\N=C(N)N)c2ccccc2C1
InChIInChI=1S/C18H19FN4/c1-11-6-7-14(19)10-16(11)13-8-12-4-2-3-5-15(12)17(9-13)22-23-18(20)21/h2-7,10,13H,8-9H2,1H3,(H4,20,21,23)/b22-17+/t13-/m0/s1
InChIKeyUELISXYRBFANME-OLDCTRRGSA-N
MW310.38 g/mol
LogP2.84
Rot. Bonds2

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

2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine (PubChem CID 134152938) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
PubChem CID134152938
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
SMILESCc1ccc(F)cc1[C@@H]1C/C(=N\N=C(N)N)c2ccccc2C1
InChIInChI=1S/C18H19FN4/c1-11-6-7-14(19)10-16(11)13-8-12-4-2-3-5-15(12)17(9-13)22-23-18(20)21/h2-7,10,13H,8-9H2,1H3,(H4,20,21,23)/b22-17+/t13-/m0/s1
InChIKeyUELISXYRBFANME-OLDCTRRGSA-N
XLogP2.84
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.84
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)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine (CID 134152938) is 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine is Cc1ccc(F)cc1[C@@H]1C/C(=N\N=C(N)N)c2ccccc2C1.
What is the InChIKey of 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
The InChIKey is UELISXYRBFANME-OLDCTRRGSA-N. The full InChI is InChI=1S/C18H19FN4/c1-11-6-7-14(19)10-16(11)13-8-12-4-2-3-5-15(12)17(9-13)22-23-18(20)21/h2-7,10,13H,8-9H2,1H3,(H4,20,21,23)/b22-17+/t13-/m0/s1.
What are the key properties of 2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine?
2-[(E)-[(3S)-3-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine has a molecular weight of 310.38 g/mol, XLogP of 2.84, 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)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine is sourced from PubChem (CID 134152938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).