3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide

C12H16F3N3O — CID 103370690

IUPAC3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)c1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-18(7-10(11(16)17)12(13,14)15)8-4-3-5-9(6-8)19-2/h3-6,10H,7H2,1-2H3,(H3,16,17)
InChIKeyFAEWBXKHALDFPC-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.25
Rot. Bonds5

About 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide

3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide (PubChem CID 103370690) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide
PubChem CID103370690
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)c1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-18(7-10(11(16)17)12(13,14)15)8-4-3-5-9(6-8)19-2/h3-6,10H,7H2,1-2H3,(H3,16,17)
InChIKeyFAEWBXKHALDFPC-UHFFFAOYSA-N
XLogP2.25
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3,3,3-trifluoro-2-[(3-fluoro-N-methylanilino)methyl]propanimidamide
CID 103370699
3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide
CID 103370527
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
2-[(3,5-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103370996
3,3,3-trifluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]propanimidamide
CID 103370622
2-[(3-ethoxyphenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103371040
5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101880
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483506
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62004171
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide (CID 103370690) is 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide is [H]/N=C(\N)C(CN(C)c1cccc(OC)c1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide?
The InChIKey is FAEWBXKHALDFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18(7-10(11(16)17)12(13,14)15)8-4-3-5-9(6-8)19-2/h3-6,10H,7H2,1-2H3,(H3,16,17).
What are the key properties of 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide?
3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide has a molecular weight of 275.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide is sourced from PubChem (CID 103370690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).