1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine

C15H22FN3 — CID 111228209

IUPAC1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3/c1-3-10-18-14(17-2)19-11-15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,17,18,19)
InChIKeyJDFSLNCCQCCDJP-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.43
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine (PubChem CID 111228209) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine
PubChem CID111228209
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3/c1-3-10-18-14(17-2)19-11-15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,17,18,19)
InChIKeyJDFSLNCCQCCDJP-UHFFFAOYSA-N
XLogP2.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.43
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-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyl-3-propylguanidine
CID 111225197
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110976132
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471903
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350092
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355012
1-(2-ethoxyethyl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylguanidine
CID 111894765
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405500
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266685
1-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111149436
1-butyl-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine
CID 111638536
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110982525
1-(cyclopropylmethyl)-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylguanidine
CID 111868214

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine (CID 111228209) is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine?
The InChIKey is JDFSLNCCQCCDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-3-10-18-14(17-2)19-11-15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine?
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine has a molecular weight of 263.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine is sourced from PubChem (CID 111228209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).