2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide

C14H24FIN4 — CID 111077598

IUPAC2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCCN(C)c1ccccc1F.I
InChIInChI=1S/C14H23FN4.HI/c1-11(2)18-14(16)17-9-6-10-19(3)13-8-5-4-7-12(13)15;/h4-5,7-8,11H,6,9-10H2,1-3H3,(H3,16,17,18);1H
InChIKeySLOMHICQXZXVDG-UHFFFAOYSA-N
MW394.28 g/mol
LogP2.58
Rot. Bonds6

About 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide

2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111077598) has the molecular formula C14H24FIN4 and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111077598
Molecular FormulaC14H24FIN4
Molecular Weight394.28 g/mol
Exact Mass394.10
IUPAC Name2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCCN(C)c1ccccc1F.I
InChIInChI=1S/C14H23FN4.HI/c1-11(2)18-14(16)17-9-6-10-19(3)13-8-5-4-7-12(13)15;/h4-5,7-8,11H,6,9-10H2,1-3H3,(H3,16,17,18);1H
InChIKeySLOMHICQXZXVDG-UHFFFAOYSA-N
XLogP2.58
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-fluoro-N-methylanilino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111077592
1-(3,4-dimethoxyphenyl)-2-[3-(2-fluoro-N-methylanilino)propyl]guanidine;hydroiodide
CID 111077608
1-[3-(2-fluoro-N-methylanilino)propyl]-2-propylguanidine
CID 111077591
2-[3-(dibenzylamino)propyl]-1-propan-2-ylguanidine
CID 111722085
2-(3-anilinopropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111088147
2-(3-phenylsulfanylpropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111027093
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280
2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912022
(3R)-N-ethyl-N'-[3-(2-fluoro-N-methylanilino)propyl]-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550159
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111095348
ethyl 4-[[N-ethyl-N'-[3-(2-fluoro-N-methylanilino)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328517

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide (CID 111077598) is 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/CCCN(C)c1ccccc1F.I.
What is the InChIKey of 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is SLOMHICQXZXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4.HI/c1-11(2)18-14(16)17-9-6-10-19(3)13-8-5-4-7-12(13)15;/h4-5,7-8,11H,6,9-10H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide?
2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 394.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111077598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).