3-(3-chloropropyl)-2-methyl-1H-indole

C12H14ClN — CID 13022442

IUPAC3-(3-chloropropyl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1CCCCl
InChIInChI=1S/C12H14ClN/c1-9-10(6-4-8-13)11-5-2-3-7-12(11)14-9/h2-3,5,7,14H,4,6,8H2,1H3
InChIKeyZYKZJHXZGCKMNU-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.65
Rot. Bonds3

About 3-(3-chloropropyl)-2-methyl-1H-indole

3-(3-chloropropyl)-2-methyl-1H-indole (PubChem CID 13022442) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-(3-chloropropyl)-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(3-chloropropyl)-2-methyl-1H-indole
PubChem CID13022442
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name3-(3-chloropropyl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1CCCCl
InChIInChI=1S/C12H14ClN/c1-9-10(6-4-8-13)11-5-2-3-7-12(11)14-9/h2-3,5,7,14H,4,6,8H2,1H3
InChIKeyZYKZJHXZGCKMNU-UHFFFAOYSA-N
XLogP3.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
CID 115263193
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
CID 116846510

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropyl)-2-methyl-1H-indole?
The IUPAC name of 3-(3-chloropropyl)-2-methyl-1H-indole (CID 13022442) is 3-(3-chloropropyl)-2-methyl-1H-indole.
What is the SMILES notation for 3-(3-chloropropyl)-2-methyl-1H-indole?
The canonical SMILES for 3-(3-chloropropyl)-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1CCCCl.
What is the InChIKey of 3-(3-chloropropyl)-2-methyl-1H-indole?
The InChIKey is ZYKZJHXZGCKMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-9-10(6-4-8-13)11-5-2-3-7-12(11)14-9/h2-3,5,7,14H,4,6,8H2,1H3.
What are the key properties of 3-(3-chloropropyl)-2-methyl-1H-indole?
3-(3-chloropropyl)-2-methyl-1H-indole has a molecular weight of 207.70 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-2-methyl-1H-indole is sourced from PubChem (CID 13022442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).