1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine

C15H22FN3 — CID 110930692

IUPAC1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H22FN3/c1-18-14(17)19-11-15(9-3-2-4-10-15)12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H3,17,18,19)
InChIKeyJSDOOVBHARDGKK-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.56
Rot. Bonds3

About 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine

1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine (PubChem CID 110930692) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine
PubChem CID110930692
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H22FN3/c1-18-14(17)19-11-15(9-3-2-4-10-15)12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H3,17,18,19)
InChIKeyJSDOOVBHARDGKK-UHFFFAOYSA-N
XLogP2.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.56
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-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110982525
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
CID 110935484
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471903
1-cyclopropyl-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylguanidine;hydroiodide
CID 110934408
1-(cyclopropylmethyl)-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylguanidine
CID 111868214
2-[(3,4-dimethoxyphenyl)methyl]-1-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine
CID 111091586
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
2-[(3,4-dimethoxyphenyl)methyl]-1-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
CID 111091585
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine
CID 111228209
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111953750

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine (CID 110930692) is 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine is C/N=C(\N)NCC1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine?
The InChIKey is JSDOOVBHARDGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-18-14(17)19-11-15(9-3-2-4-10-15)12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H3,17,18,19).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine?
1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine has a molecular weight of 263.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine is sourced from PubChem (CID 110930692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).