ethane;4-methylbenzenecarboximidoyl chloride

C10H14ClN — CID 142027838

IUPACethane;4-methylbenzenecarboximidoyl chloride
SMILESCC.[H]/N=C(\Cl)c1ccc(C)cc1
InChIInChI=1S/C8H8ClN.C2H6/c1-6-2-4-7(5-3-6)8(9)10;1-2/h2-5,10H,1H3;1-2H3/b10-8-;
InChIKeyFOXFSVSHSHOLIZ-DQMXGCRQSA-N
MW183.68 g/mol
LogP3.59
Rot. Bonds1

About ethane;4-methylbenzenecarboximidoyl chloride

ethane;4-methylbenzenecarboximidoyl chloride (PubChem CID 142027838) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is ethane;4-methylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Nameethane;4-methylbenzenecarboximidoyl chloride
PubChem CID142027838
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Nameethane;4-methylbenzenecarboximidoyl chloride
SMILESCC.[H]/N=C(\Cl)c1ccc(C)cc1
InChIInChI=1S/C8H8ClN.C2H6/c1-6-2-4-7(5-3-6)8(9)10;1-2/h2-5,10H,1H3;1-2H3/b10-8-;
InChIKeyFOXFSVSHSHOLIZ-DQMXGCRQSA-N
XLogP3.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)ethanimine;hydrochloride
CID 131845076
2-amino-5-methylbenzenecarboximidoyl chloride;ethane
CID 176988809
4-methylbenzoyl chloride
CID 13405
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
ethane;methanol;1,4-xylene
CID 171074418
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
2-imino-N-methyl-2-(4-methylphenyl)ethanamine
CID 142977852
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
[chloro-(4-methylphenyl)methylidene]-dimethylazanium
CID 16701530
carbamimidoyl (1E)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidothioate
CID 11836528
3-chloro-2-methyl-3-(4-methylphenyl)prop-2-enal
CID 3018089
indigane;4-methylbenzoic acid
CID 173230327

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylbenzenecarboximidoyl chloride?
The IUPAC name of ethane;4-methylbenzenecarboximidoyl chloride (CID 142027838) is ethane;4-methylbenzenecarboximidoyl chloride.
What is the SMILES notation for ethane;4-methylbenzenecarboximidoyl chloride?
The canonical SMILES for ethane;4-methylbenzenecarboximidoyl chloride is CC.[H]/N=C(\Cl)c1ccc(C)cc1.
What is the InChIKey of ethane;4-methylbenzenecarboximidoyl chloride?
The InChIKey is FOXFSVSHSHOLIZ-DQMXGCRQSA-N. The full InChI is InChI=1S/C8H8ClN.C2H6/c1-6-2-4-7(5-3-6)8(9)10;1-2/h2-5,10H,1H3;1-2H3/b10-8-;.
What are the key properties of ethane;4-methylbenzenecarboximidoyl chloride?
ethane;4-methylbenzenecarboximidoyl chloride has a molecular weight of 183.68 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylbenzenecarboximidoyl chloride is sourced from PubChem (CID 142027838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).