2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine

C14H22FN3O — CID 111752698

IUPAC2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
SMILESCCC(C/N=C(\N)NC(C)C)Oc1ccccc1F
InChIInChI=1S/C14H22FN3O/c1-4-11(9-17-14(16)18-10(2)3)19-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9H2,1-3H3,(H3,16,17,18)
InChIKeyIUQBHEIYUMQTCQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine

2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine (PubChem CID 111752698) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
PubChem CID111752698
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
SMILESCCC(C/N=C(\N)NC(C)C)Oc1ccccc1F
InChIInChI=1S/C14H22FN3O/c1-4-11(9-17-14(16)18-10(2)3)19-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9H2,1-3H3,(H3,16,17,18)
InChIKeyIUQBHEIYUMQTCQ-UHFFFAOYSA-N
XLogP2.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-(2-fluorophenoxy)butyl]-1-(2-methoxyphenyl)guanidine
CID 111752680
2-[2-(2-fluorophenoxy)butyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921204
N'-[2-(2-fluorophenoxy)butyl]morpholine-4-carboximidamide
CID 111752728
1-cyclopropyl-2-[2-(2-fluorophenoxy)butyl]-1-methylguanidine;hydroiodide
CID 110031022
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162
1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 111968011
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
3-(2-fluorophenoxy)pentanimidamide
CID 43368257
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111465552
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
2-[2-(2-chlorophenoxy)butyl]-1-(cyclobutylmethyl)guanidine
CID 111752836

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine (CID 111752698) is 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine is CCC(C/N=C(\N)NC(C)C)Oc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine?
The InChIKey is IUQBHEIYUMQTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-11(9-17-14(16)18-10(2)3)19-13-8-6-5-7-12(13)15/h5-8,10-11H,4,9H2,1-3H3,(H3,16,17,18).
What are the key properties of 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine?
2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine has a molecular weight of 267.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 111752698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).