4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide

C21H27FN2O3 — CID 19794928

IUPAC4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2cc(F)ccc2OC(C)C)cc1
InChIInChI=1S/C21H27FN2O3/c1-15(2)27-19-11-8-17(22)14-20(19)26-13-5-3-4-12-25-18-9-6-16(7-10-18)21(23)24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H3,23,24)
InChIKeyMKAZKKPJGOHBBQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.53
Rot. Bonds11

About 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide

4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide (PubChem CID 19794928) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide
PubChem CID19794928
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2cc(F)ccc2OC(C)C)cc1
InChIInChI=1S/C21H27FN2O3/c1-15(2)27-19-11-8-17(22)14-20(19)26-13-5-3-4-12-25-18-9-6-16(7-10-18)21(23)24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H3,23,24)
InChIKeyMKAZKKPJGOHBBQ-UHFFFAOYSA-N
XLogP4.53
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide;methanesulfonic acid
CID 19794927
4-[5-(4,5-difluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794890
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-octoxybenzenecarboximidamide
CID 3302492
4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794906
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
CID 146331992
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide?
The IUPAC name of 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide (CID 19794928) is 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide?
The canonical SMILES for 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCCCOc2cc(F)ccc2OC(C)C)cc1.
What is the InChIKey of 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide?
The InChIKey is MKAZKKPJGOHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-15(2)27-19-11-8-17(22)14-20(19)26-13-5-3-4-12-25-18-9-6-16(7-10-18)21(23)24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H3,23,24).
What are the key properties of 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide?
4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide has a molecular weight of 374.46 g/mol, XLogP of 4.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide is sourced from PubChem (CID 19794928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).