N'-(2-chlorophenyl)-N,N-diethylmethanimidamide

C11H15ClN2 — CID 131879491

IUPACN'-(2-chlorophenyl)-N,N-diethylmethanimidamide
SMILESCCN(/C=N/c1ccccc1Cl)CC
InChIInChI=1S/C11H15ClN2/c1-3-14(4-2)9-13-11-8-6-5-7-10(11)12/h5-9H,3-4H2,1-2H3/b13-9+
InChIKeyJOBRNBXQOZKMPR-UKTHLTGXSA-N
MW210.71 g/mol
LogP3.34
Rot. Bonds4

About N'-(2-chlorophenyl)-N,N-diethylmethanimidamide

N'-(2-chlorophenyl)-N,N-diethylmethanimidamide (PubChem CID 131879491) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N,N-diethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N,N-diethylmethanimidamide
PubChem CID131879491
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN'-(2-chlorophenyl)-N,N-diethylmethanimidamide
SMILESCCN(/C=N/c1ccccc1Cl)CC
InChIInChI=1S/C11H15ClN2/c1-3-14(4-2)9-13-11-8-6-5-7-10(11)12/h5-9H,3-4H2,1-2H3/b13-9+
InChIKeyJOBRNBXQOZKMPR-UKTHLTGXSA-N
XLogP3.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N,N-diethylmethanimidamide?
The IUPAC name of N'-(2-chlorophenyl)-N,N-diethylmethanimidamide (CID 131879491) is N'-(2-chlorophenyl)-N,N-diethylmethanimidamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N,N-diethylmethanimidamide?
The canonical SMILES for N'-(2-chlorophenyl)-N,N-diethylmethanimidamide is CCN(/C=N/c1ccccc1Cl)CC.
What is the InChIKey of N'-(2-chlorophenyl)-N,N-diethylmethanimidamide?
The InChIKey is JOBRNBXQOZKMPR-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-3-14(4-2)9-13-11-8-6-5-7-10(11)12/h5-9H,3-4H2,1-2H3/b13-9+.
What are the key properties of N'-(2-chlorophenyl)-N,N-diethylmethanimidamide?
N'-(2-chlorophenyl)-N,N-diethylmethanimidamide has a molecular weight of 210.71 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N,N-diethylmethanimidamide is sourced from PubChem (CID 131879491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).