3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide

C11H15Cl2N3 — CID 65317630

IUPAC3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N3/c1-16(5-4-11(14)15)7-8-6-9(12)2-3-10(8)13/h2-3,6H,4-5,7H2,1H3,(H3,14,15)
InChIKeySILLYROKSMMOQQ-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.75
Rot. Bonds5

About 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide

3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide (PubChem CID 65317630) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
PubChem CID65317630
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N3/c1-16(5-4-11(14)15)7-8-6-9(12)2-3-10(8)13/h2-3,6H,4-5,7H2,1H3,(H3,14,15)
InChIKeySILLYROKSMMOQQ-UHFFFAOYSA-N
XLogP2.75
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.75
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-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
CID 43658900
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanimidamide
CID 114346088
3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 63285770
4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 65317772
2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725
3-[(4-chloro-2-fluorophenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 114849629
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
3-[(4-chlorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996572
2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide (CID 65317630) is 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide is [H]/N=C(\N)CCN(C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide?
The InChIKey is SILLYROKSMMOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-16(5-4-11(14)15)7-8-6-9(12)2-3-10(8)13/h2-3,6H,4-5,7H2,1H3,(H3,14,15).
What are the key properties of 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide?
3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide has a molecular weight of 260.17 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide is sourced from PubChem (CID 65317630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).