2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide

C12H15ClN2 — CID 169366117

IUPAC2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide
SMILESCc1cc2c(c(/N=C(/N)CCl)c1)CCC2
InChIInChI=1S/C12H15ClN2/c1-8-5-9-3-2-4-10(9)11(6-8)15-12(14)7-13/h5-6H,2-4,7H2,1H3,(H2,14,15)
InChIKeyDOYPPDHERDTSBM-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.71
Rot. Bonds2

About 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide

2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide (PubChem CID 169366117) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide
PubChem CID169366117
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide
SMILESCc1cc2c(c(/N=C(/N)CCl)c1)CCC2
InChIInChI=1S/C12H15ClN2/c1-8-5-9-3-2-4-10(9)11(6-8)15-12(14)7-13/h5-6H,2-4,7H2,1H3,(H2,14,15)
InChIKeyDOYPPDHERDTSBM-UHFFFAOYSA-N
XLogP2.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
CID 169364909
4-isocyanato-6-methyl-2,3-dihydro-1H-indene
CID 169352763
1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol
CID 168637341
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
2-chloro-N'-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)ethanimidamide
CID 169366960
3-[(1-amino-2-chloroethylidene)amino]-N-cyclopropyl-4-methylbenzamide
CID 169366359
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
CID 169369151
2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366975
N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide
CID 169366320
4-[(1-amino-2-chloroethylidene)amino]-3-methyl-N-propylbenzamide
CID 169366016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide (CID 169366117) is 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide is Cc1cc2c(c(/N=C(/N)CCl)c1)CCC2.
What is the InChIKey of 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide?
The InChIKey is DOYPPDHERDTSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-5-9-3-2-4-10(9)11(6-8)15-12(14)7-13/h5-6H,2-4,7H2,1H3,(H2,14,15).
What are the key properties of 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide?
2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide has a molecular weight of 222.72 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(6-methyl-2,3-dihydro-1H-inden-4-yl)ethanimidamide is sourced from PubChem (CID 169366117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).