N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide

C13H17ClN2 — CID 63181496

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide
SMILES[H]/N=C(\C1CC1)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2/c1-9(11-4-3-5-12(14)8-11)16(2)13(15)10-6-7-10/h3-5,8-10,15H,6-7H2,1-2H3/b15-13+
InChIKeyFOBWRWJNWPNGIB-FYWRMAATSA-N
MW236.75 g/mol
LogP3.72
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide

N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide (PubChem CID 63181496) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide
PubChem CID63181496
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide
SMILES[H]/N=C(\C1CC1)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2/c1-9(11-4-3-5-12(14)8-11)16(2)13(15)10-6-7-10/h3-5,8-10,15H,6-7H2,1-2H3/b15-13+
InChIKeyFOBWRWJNWPNGIB-FYWRMAATSA-N
XLogP3.72
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.72
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'}

Analyze N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide 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

1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 62980621
N-[1-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78981469
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-propan-2-ylthiourea
CID 115587742
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
(2R)-1-[1-(3-chlorophenyl)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923305
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119716831
N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716502

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide (CID 63181496) is N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide is [H]/N=C(\C1CC1)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide?
The InChIKey is FOBWRWJNWPNGIB-FYWRMAATSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9(11-4-3-5-12(14)8-11)16(2)13(15)10-6-7-10/h3-5,8-10,15H,6-7H2,1-2H3/b15-13+.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide?
N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide has a molecular weight of 236.75 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methylcyclopropanecarboximidamide is sourced from PubChem (CID 63181496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).