3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide

C12H18ClN3O — CID 76979743

IUPAC3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(c1cccc(Cl)c1)N(C)CCC(N)=NO
InChIInChI=1S/C12H18ClN3O/c1-9(10-4-3-5-11(13)8-10)16(2)7-6-12(14)15-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,14,15)
InChIKeyVSQLUMUTKKGJGC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.47
Rot. Bonds5

About 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide

3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 76979743) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID76979743
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(c1cccc(Cl)c1)N(C)CCC(N)=NO
InChIInChI=1S/C12H18ClN3O/c1-9(10-4-3-5-11(13)8-10)16(2)7-6-12(14)15-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,14,15)
InChIKeyVSQLUMUTKKGJGC-UHFFFAOYSA-N
XLogP2.47
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.47
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
CID 55140663
3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
CID 47057115
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
4-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethyl]aniline
CID 62979290
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
CID 66472315
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide (CID 76979743) is 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide is CC(c1cccc(Cl)c1)N(C)CCC(N)=NO.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is VSQLUMUTKKGJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9(10-4-3-5-11(13)8-10)16(2)7-6-12(14)15-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide?
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 255.75 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76979743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).