2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide

C15H15ClFN3 — CID 63673253

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H15ClFN3/c1-20(9-10-4-2-3-5-13(10)16)14-7-6-11(17)8-12(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyWOWQQYMKVUBKTB-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.40
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide

2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide (PubChem CID 63673253) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
PubChem CID63673253
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H15ClFN3/c1-20(9-10-4-2-3-5-13(10)16)14-7-6-11(17)8-12(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyWOWQQYMKVUBKTB-UHFFFAOYSA-N
XLogP3.40
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.40
H-Bond Donors ≤ 52
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

3-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799418
5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 114892900
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 61416913
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279164
2-[(1S)-1-aminoethyl]-N-[(2-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 78934499
2-[(2-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 61417210
5-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63673025
4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-fluorobenzenecarboximidamide
CID 61417008
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide (CID 63673253) is 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide?
The InChIKey is WOWQQYMKVUBKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-20(9-10-4-2-3-5-13(10)16)14-7-6-11(17)8-12(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide?
2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide has a molecular weight of 291.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63673253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).