N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide

C9H12ClN3 — CID 61363432

IUPACN-amino-2-(4-chlorophenyl)-N'-methylethanimidamide
SMILESC/N=C(/Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C9H12ClN3/c1-12-9(13-11)6-7-2-4-8(10)5-3-7/h2-5H,6,11H2,1H3,(H,12,13)
InChIKeyTVVQKMSTCABKQI-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.37
Rot. Bonds2

About N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide

N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide (PubChem CID 61363432) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-amino-2-(4-chlorophenyl)-N'-methylethanimidamide
PubChem CID61363432
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-amino-2-(4-chlorophenyl)-N'-methylethanimidamide
SMILESC/N=C(/Cc1ccc(Cl)cc1)NN
InChIInChI=1S/C9H12ClN3/c1-12-9(13-11)6-7-2-4-8(10)5-3-7/h2-5H,6,11H2,1H3,(H,12,13)
InChIKeyTVVQKMSTCABKQI-UHFFFAOYSA-N
XLogP1.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-tert-butyl-2-(4-chlorophenyl)ethanimidamide
CID 61361102
N-amino-4-chloro-N'-methylbenzenecarboximidamide
CID 61361047
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
CID 61414861
2-(4-chlorophenyl)-N-ethoxyacetamide
CID 25353081
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
methyl 3-(4-chlorophenyl)-2-oxopropanoate
CID 8008517
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
(4-chlorophenyl)methylhydrazine;hydrochloride
CID 3058470
2-(4-chlorophenyl)acetate
CID 5460378
1-(4-chlorophenyl)butan-2-one
CID 39237509
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5413519

Frequently Asked Questions

What is the IUPAC name of N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide?
The IUPAC name of N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide (CID 61363432) is N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide.
What is the SMILES notation for N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide?
The canonical SMILES for N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide is C/N=C(/Cc1ccc(Cl)cc1)NN.
What is the InChIKey of N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide?
The InChIKey is TVVQKMSTCABKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-12-9(13-11)6-7-2-4-8(10)5-3-7/h2-5H,6,11H2,1H3,(H,12,13).
What are the key properties of N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide?
N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide has a molecular weight of 197.67 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(4-chlorophenyl)-N'-methylethanimidamide is sourced from PubChem (CID 61363432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).