2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline

C15H16FN3 — CID 142178906

IUPAC2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
SMILES[H]/N=C(\c1cccc(F)c1)c1cc(CNC)ccc1N
InChIInChI=1S/C15H16FN3/c1-19-9-10-5-6-14(17)13(7-10)15(18)11-3-2-4-12(16)8-11/h2-8,18-19H,9,17H2,1H3/b18-15+
InChIKeyWBNJVFBPHASGRI-OBGWFSINSA-N
MW257.31 g/mol
LogP2.54
Rot. Bonds4

About 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline

2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline (PubChem CID 142178906) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline.

Molecular Properties

Compound Name2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
PubChem CID142178906
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
SMILES[H]/N=C(\c1cccc(F)c1)c1cc(CNC)ccc1N
InChIInChI=1S/C15H16FN3/c1-19-9-10-5-6-14(17)13(7-10)15(18)11-3-2-4-12(16)8-11/h2-8,18-19H,9,17H2,1H3/b18-15+
InChIKeyWBNJVFBPHASGRI-OBGWFSINSA-N
XLogP2.54
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine
CID 163940472
[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol
CID 142179153
N-(2,3-dihydroxypropyl)formamide;2-(3-fluorobenzenecarboximidoyl)-4-methylaniline
CID 142179115
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
4-amino-N'-methanimidoyl-3-[3-(methylamino)benzenecarboximidoyl]benzenecarboximidamide
CID 142958227
[4-amino-2-(3-fluorobenzenecarboximidoyl)-3-methoxyanilino]thallium
CID 142179068
N-[[4-amino-3-(3-fluorobenzenecarboximidoyl)-2-methoxyphenyl]methyl]-3-methoxybenzamide
CID 142178954
4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline
CID 142179037
4-amino-3-(3-ethenylbenzenecarboximidoyl)-N'-(methylamino)benzenecarboximidamide
CID 142208898
N-[5-amino-6-(3-fluorobenzenecarboximidoyl)-2-pyridinyl]-2-thiophen-2-ylacetamide;molecular hydrogen
CID 142835765
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline?
The IUPAC name of 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline (CID 142178906) is 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline.
What is the SMILES notation for 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline?
The canonical SMILES for 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline is [H]/N=C(\c1cccc(F)c1)c1cc(CNC)ccc1N.
What is the InChIKey of 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline?
The InChIKey is WBNJVFBPHASGRI-OBGWFSINSA-N. The full InChI is InChI=1S/C15H16FN3/c1-19-9-10-5-6-14(17)13(7-10)15(18)11-3-2-4-12(16)8-11/h2-8,18-19H,9,17H2,1H3/b18-15+.
What are the key properties of 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline?
2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline has a molecular weight of 257.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline is sourced from PubChem (CID 142178906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).