4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide

C16H18ClN3O — CID 63094373

IUPAC4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1ccccc1OC
InChIInChI=1S/C16H18ClN3O/c1-20(10-11-5-3-4-6-15(11)21-2)14-9-12(17)7-8-13(14)16(18)19/h3-9H,10H2,1-2H3,(H3,18,19)
InChIKeyLHRMXJAJYNMPTQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.27
Rot. Bonds5

About 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide

4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 63094373) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID63094373
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1ccccc1OC
InChIInChI=1S/C16H18ClN3O/c1-20(10-11-5-3-4-6-15(11)21-2)14-9-12(17)7-8-13(14)16(18)19/h3-9H,10H2,1-2H3,(H3,18,19)
InChIKeyLHRMXJAJYNMPTQ-UHFFFAOYSA-N
XLogP3.27
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.27
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

2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide
CID 62308476
5-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 62493688
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 63093863
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 55179840
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzenecarboximidamide
CID 63092842
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
CID 63673253
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide (CID 63094373) is 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1ccccc1OC.
What is the InChIKey of 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is LHRMXJAJYNMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(10-11-5-3-4-6-15(11)21-2)14-9-12(17)7-8-13(14)16(18)19/h3-9H,10H2,1-2H3,(H3,18,19).
What are the key properties of 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide?
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 303.79 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 63094373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).