2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide

C12H18FN3O — CID 63667993

IUPAC2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCCN(C)C
InChIInChI=1S/C12H18FN3O/c1-16(2)6-3-7-17-11-5-4-9(13)8-10(11)12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H3,14,15)
InChIKeyBZKFNXKFYSOVBI-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.44
Rot. Bonds6

About 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide

2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide (PubChem CID 63667993) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
PubChem CID63667993
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCCN(C)C
InChIInChI=1S/C12H18FN3O/c1-16(2)6-3-7-17-11-5-4-9(13)8-10(11)12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H3,14,15)
InChIKeyBZKFNXKFYSOVBI-UHFFFAOYSA-N
XLogP1.44
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 63668159
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074
3-bromo-4-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 82798606
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide (CID 63667993) is 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1OCCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide?
The InChIKey is BZKFNXKFYSOVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-16(2)6-3-7-17-11-5-4-9(13)8-10(11)12(14)15/h4-5,8H,3,6-7H2,1-2H3,(H3,14,15).
What are the key properties of 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide?
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide has a molecular weight of 239.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63667993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).