N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide

C11H15ClN2 — CID 63174015

IUPACN'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2/c1-8(2)11(13)14-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyKNDAYDGDCIJHOQ-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.85
Rot. Bonds3

About N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide

N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide (PubChem CID 63174015) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
PubChem CID63174015
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2/c1-8(2)11(13)14-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyKNDAYDGDCIJHOQ-UHFFFAOYSA-N
XLogP2.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-[(4-cyanophenyl)methyl]-2-methylpropanimidamide
CID 63175750
2-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111022749
2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
CID 63248055
2-amino-2-[(4-chlorophenyl)methylimino]acetic acid
CID 89286361
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
N'-[(4-chlorophenyl)methyl]-4-[2-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]propan-2-yl]benzenecarboximidamide
CID 170270607
1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 15598981
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
CID 24839279
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755
2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide
CID 130597810
N'-[(4-chlorophenyl)methyl]-N-cyanoethanimidamide
CID 20803122

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide (CID 63174015) is N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide is CC(C)/C(N)=N\Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide?
The InChIKey is KNDAYDGDCIJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8(2)11(13)14-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide?
N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide has a molecular weight of 210.71 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide is sourced from PubChem (CID 63174015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).