N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide

C13H19FN2O — CID 89276256

IUPACN'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide
SMILESCCC/C(N)=N\Cc1cccc(F)c1OCC
InChIInChI=1S/C13H19FN2O/c1-3-6-12(15)16-9-10-7-5-8-11(14)13(10)17-4-2/h5,7-8H,3-4,6,9H2,1-2H3,(H2,15,16)
InChIKeyUULBVIWULXKECV-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.88
Rot. Bonds6

About N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide

N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide (PubChem CID 89276256) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide.

Molecular Properties

Compound NameN'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide
PubChem CID89276256
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide
SMILESCCC/C(N)=N\Cc1cccc(F)c1OCC
InChIInChI=1S/C13H19FN2O/c1-3-6-12(15)16-9-10-7-5-8-11(14)13(10)17-4-2/h5,7-8H,3-4,6,9H2,1-2H3,(H2,15,16)
InChIKeyUULBVIWULXKECV-UHFFFAOYSA-N
XLogP2.88
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
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

N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63173587
N'-[[4-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63174113
(2-ethoxy-3-fluorophenyl)thiourea
CID 169358055
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
N'-[2-(3-fluorophenyl)ethyl]butanimidamide
CID 63175789
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
2-ethoxy-1,3-dipropylbenzene
CID 14665558
N'-(2,6-difluorophenyl)propanimidamide
CID 63178619
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide?
The IUPAC name of N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide (CID 89276256) is N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide.
What is the SMILES notation for N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide?
The canonical SMILES for N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide is CCC/C(N)=N\Cc1cccc(F)c1OCC.
What is the InChIKey of N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide?
The InChIKey is UULBVIWULXKECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-6-12(15)16-9-10-7-5-8-11(14)13(10)17-4-2/h5,7-8H,3-4,6,9H2,1-2H3,(H2,15,16).
What are the key properties of N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide?
N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide has a molecular weight of 238.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide is sourced from PubChem (CID 89276256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).