2-amino-5-methylbenzenecarboximidoyl chloride;ethane

C10H15ClN2 — CID 176988809

IUPAC2-amino-5-methylbenzenecarboximidoyl chloride;ethane
SMILESCC.[H]/N=C(\Cl)c1cc(C)ccc1N
InChIInChI=1S/C8H9ClN2.C2H6/c1-5-2-3-7(10)6(4-5)8(9)11;1-2/h2-4,11H,10H2,1H3;1-2H3/b11-8-;
InChIKeyYLPIGUXHXUTCCB-MKFZHGHUSA-N
MW198.70 g/mol
LogP3.17
Rot. Bonds1

About 2-amino-5-methylbenzenecarboximidoyl chloride;ethane

2-amino-5-methylbenzenecarboximidoyl chloride;ethane (PubChem CID 176988809) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-amino-5-methylbenzenecarboximidoyl chloride;ethane.

Molecular Properties

Compound Name2-amino-5-methylbenzenecarboximidoyl chloride;ethane
PubChem CID176988809
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-amino-5-methylbenzenecarboximidoyl chloride;ethane
SMILESCC.[H]/N=C(\Cl)c1cc(C)ccc1N
InChIInChI=1S/C8H9ClN2.C2H6/c1-5-2-3-7(10)6(4-5)8(9)11;1-2/h2-4,11H,10H2,1H3;1-2H3/b11-8-;
InChIKeyYLPIGUXHXUTCCB-MKFZHGHUSA-N
XLogP3.17
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane
CID 143489753
4-methyl-2-propanimidoylaniline;molecular hydrogen
CID 176988510
ethane;4-methylbenzenecarboximidoyl chloride
CID 142027838
2,4-dimethylaniline;methanol
CID 70633605
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
2-amino-5-methylbenzenecarbothiohydrazide
CID 55281851
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
2-[(E)-but-2-enimidoyl]-5-methylaniline
CID 143224208
1-(2-amino-5-methylphenyl)prop-2-yn-1-one
CID 116581366
iodo 2-amino-5-methylbenzoate
CID 174945201
ethane;1-(2-ethoxy-4-methylphenyl)ethanimine;methanamine
CID 176566491
2-amino-N-methoxy-5-methylbenzamide
CID 64974828

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylbenzenecarboximidoyl chloride;ethane?
The IUPAC name of 2-amino-5-methylbenzenecarboximidoyl chloride;ethane (CID 176988809) is 2-amino-5-methylbenzenecarboximidoyl chloride;ethane.
What is the SMILES notation for 2-amino-5-methylbenzenecarboximidoyl chloride;ethane?
The canonical SMILES for 2-amino-5-methylbenzenecarboximidoyl chloride;ethane is CC.[H]/N=C(\Cl)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-5-methylbenzenecarboximidoyl chloride;ethane?
The InChIKey is YLPIGUXHXUTCCB-MKFZHGHUSA-N. The full InChI is InChI=1S/C8H9ClN2.C2H6/c1-5-2-3-7(10)6(4-5)8(9)11;1-2/h2-4,11H,10H2,1H3;1-2H3/b11-8-;.
What are the key properties of 2-amino-5-methylbenzenecarboximidoyl chloride;ethane?
2-amino-5-methylbenzenecarboximidoyl chloride;ethane has a molecular weight of 198.70 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylbenzenecarboximidoyl chloride;ethane is sourced from PubChem (CID 176988809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).