N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide

C12H17FN2 — CID 63179168

IUPACN,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(C)c(F)c1)N(CC)CC
InChIInChI=1S/C12H17FN2/c1-4-15(5-2)12(14)10-7-6-9(3)11(13)8-10/h6-8,14H,4-5H2,1-3H3/b14-12-
InChIKeyBEWUVFJRIPEPFJ-OWBHPGMISA-N
MW208.28 g/mol
LogP2.80
Rot. Bonds3

About N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide

N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide (PubChem CID 63179168) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide
PubChem CID63179168
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(C)c(F)c1)N(CC)CC
InChIInChI=1S/C12H17FN2/c1-4-15(5-2)12(14)10-7-6-9(3)11(13)8-10/h6-8,14H,4-5H2,1-3H3/b14-12-
InChIKeyBEWUVFJRIPEPFJ-OWBHPGMISA-N
XLogP2.80
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,N-diethyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63179121
N,N-diethyl-4-fluoro-2-methylbenzenecarboximidamide
CID 81278294
4-bromo-N,N-diethyl-3,5-dimethylbenzenecarboximidamide
CID 114331154
4-bromo-N,N-diethylbenzenecarboximidamide
CID 63179467
2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128345
2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide
CID 107924400
N,N-diethyl-2-methyl-5-nitrobenzenecarboximidamide
CID 63179655
1-(3-fluoro-4-methylphenyl)ethenamine
CID 129060192
N-ethyl-N,3-dimethylbenzenecarboximidamide
CID 175721191
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-hydroxybutan-1-one
CID 107128454
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one
CID 107129986

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide?
The IUPAC name of N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide (CID 63179168) is N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide.
What is the SMILES notation for N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide?
The canonical SMILES for N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide is [H]/N=C(/c1ccc(C)c(F)c1)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide?
The InChIKey is BEWUVFJRIPEPFJ-OWBHPGMISA-N. The full InChI is InChI=1S/C12H17FN2/c1-4-15(5-2)12(14)10-7-6-9(3)11(13)8-10/h6-8,14H,4-5H2,1-3H3/b14-12-.
What are the key properties of N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide?
N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide has a molecular weight of 208.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide is sourced from PubChem (CID 63179168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).