1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole

C17H18ClN — CID 63540213

IUPAC1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole
SMILESCc1cc(N2c3ccccc3CC2C)ccc1CCl
InChIInChI=1S/C17H18ClN/c1-12-9-16(8-7-15(12)11-18)19-13(2)10-14-5-3-4-6-17(14)19/h3-9,13H,10-11H2,1-2H3
InChIKeyTWZDMDKQCWQPSU-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.82
Rot. Bonds2

About 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole

1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole (PubChem CID 63540213) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole
PubChem CID63540213
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole
SMILESCc1cc(N2c3ccccc3CC2C)ccc1CCl
InChIInChI=1S/C17H18ClN/c1-12-9-16(8-7-15(12)11-18)19-13(2)10-14-5-3-4-6-17(14)19/h3-9,13H,10-11H2,1-2H3
InChIKeyTWZDMDKQCWQPSU-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107274667
1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
CID 61254888
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 114215376
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921
2-amino-4-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 104500136
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210024
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol
CID 114845142
N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
CID 114847408

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole (CID 63540213) is 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole is Cc1cc(N2c3ccccc3CC2C)ccc1CCl.
What is the InChIKey of 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole?
The InChIKey is TWZDMDKQCWQPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12-9-16(8-7-15(12)11-18)19-13(2)10-14-5-3-4-6-17(14)19/h3-9,13H,10-11H2,1-2H3.
What are the key properties of 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole?
1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole has a molecular weight of 271.79 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 63540213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).