1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine

C16H23F2N3 — CID 111807518

IUPAC1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine
SMILESCC(C/N=C(\N)NC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N3/c1-11(14-8-7-12(17)9-15(14)18)10-20-16(19)21-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H3,19,20,21)
InChIKeyPZWBJYMWVXMVTM-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.31
Rot. Bonds4

About 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine

1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine (PubChem CID 111807518) has the molecular formula C16H23F2N3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine
PubChem CID111807518
Molecular FormulaC16H23F2N3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine
SMILESCC(C/N=C(\N)NC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N3/c1-11(14-8-7-12(17)9-15(14)18)10-20-16(19)21-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H3,19,20,21)
InChIKeyPZWBJYMWVXMVTM-UHFFFAOYSA-N
XLogP3.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.31
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-cyclopropyl-2-[2-(2,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
CID 111759446
2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979564
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
2-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-1-cyclopentylguanidine
CID 122082261
2-[2-(2,4-difluorophenyl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111807497
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetamide
CID 54894291
1-cyclohexyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111676760
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-cyclohexylguanidine
CID 111801100
1-cyclohexyl-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111679097

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine (CID 111807518) is 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine is CC(C/N=C(\N)NC1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine?
The InChIKey is PZWBJYMWVXMVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3/c1-11(14-8-7-12(17)9-15(14)18)10-20-16(19)21-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H3,19,20,21).
What are the key properties of 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine?
1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine has a molecular weight of 295.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine is sourced from PubChem (CID 111807518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).