N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide

C11H15ClN2 — CID 132967057

IUPACN'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2/c1-14(2)9-13-8-7-10-3-5-11(12)6-4-10/h3-6,9H,7-8H2,1-2H3/b13-9+
InChIKeyGGZTWVWNCQYCRJ-UKTHLTGXSA-N
MW210.71 g/mol
LogP2.47
Rot. Bonds4

About N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide

N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide (PubChem CID 132967057) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide
PubChem CID132967057
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2/c1-14(2)9-13-8-7-10-3-5-11(12)6-4-10/h3-6,9H,7-8H2,1-2H3/b13-9+
InChIKeyGGZTWVWNCQYCRJ-UKTHLTGXSA-N
XLogP2.47
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 ≤ 52.47
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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Related Compounds

2-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111024780
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
3-(4-chlorophenyl)propanal;ethane
CID 142069464
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
bis[(4-chlorophenyl)methyl]tin;bis(dimethylaminomethanedithiolate)
CID 5248252
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide (CID 132967057) is N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/CCc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide?
The InChIKey is GGZTWVWNCQYCRJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14(2)9-13-8-7-10-3-5-11(12)6-4-10/h3-6,9H,7-8H2,1-2H3/b13-9+.
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide?
N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide has a molecular weight of 210.71 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)ethyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 132967057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).