1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine

C18H24FN5 — CID 111968075

IUPAC1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(/NCCN(C)Cc1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C18H24FN5/c1-20-18(23-13-17-5-3-4-10-21-17)22-11-12-24(2)14-15-6-8-16(19)9-7-15/h3-10H,11-14H2,1-2H3,(H2,20,22,23)
InChIKeyFKHCTVXBLBUGLH-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.02
Rot. Bonds7

About 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 111968075) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
PubChem CID111968075
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(/NCCN(C)Cc1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C18H24FN5/c1-20-18(23-13-17-5-3-4-10-21-17)22-11-12-24(2)14-15-6-8-16(19)9-7-15/h3-10H,11-14H2,1-2H3,(H2,20,22,23)
InChIKeyFKHCTVXBLBUGLH-UHFFFAOYSA-N
XLogP2.02
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[benzyl(methyl)amino]ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232999
1-[(4-fluorophenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969505
2-methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970093
N-benzyl-N-methyl-3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 110969789
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191380
2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111231892
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970160
1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967692
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110970917
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111691212
2-methyl-1-[4-[methyl(propan-2-yl)amino]butyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971118
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111969038

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine (CID 111968075) is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine is C/N=C(/NCCN(C)Cc1ccc(F)cc1)NCc1ccccn1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is FKHCTVXBLBUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-20-18(23-13-17-5-3-4-10-21-17)22-11-12-24(2)14-15-6-8-16(19)9-7-15/h3-10H,11-14H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 329.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 111968075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).