1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine

C15H23FN4 — CID 116512069

IUPAC1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
SMILESNN/C(=N\CCc1ccccc1F)NC1CCCCC1
InChIInChI=1S/C15H23FN4/c16-14-9-5-4-6-12(14)10-11-18-15(20-17)19-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11,17H2,(H2,18,19,20)
InChIKeyJBVFMZWSCYUPLF-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.11
Rot. Bonds4

About 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine

1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine (PubChem CID 116512069) has the molecular formula C15H23FN4 and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
PubChem CID116512069
Molecular FormulaC15H23FN4
Molecular Weight278.37 g/mol
Exact Mass278.19
IUPAC Name1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
SMILESNN/C(=N\CCc1ccccc1F)NC1CCCCC1
InChIInChI=1S/C15H23FN4/c16-14-9-5-4-6-12(14)10-11-18-15(20-17)19-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11,17H2,(H2,18,19,20)
InChIKeyJBVFMZWSCYUPLF-UHFFFAOYSA-N
XLogP2.11
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262763
1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
CID 116512213
1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine
CID 116512072
1-amino-3-cyclohexyl-2-(2-phenoxyethyl)guanidine
CID 116513778
1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
CID 116512388
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111965424
1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine
CID 116516539
2-[[(cyclopentylamino)-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111842415
1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513137
1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104887608

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine (CID 116512069) is 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine is NN/C(=N\CCc1ccccc1F)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine?
The InChIKey is JBVFMZWSCYUPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c16-14-9-5-4-6-12(14)10-11-18-15(20-17)19-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11,17H2,(H2,18,19,20).
What are the key properties of 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine?
1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine has a molecular weight of 278.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 116512069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).