N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine

C12H15ClN2 — CID 115263193

IUPACN-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2ccccc2c1CN(C)CCl
InChIInChI=1S/C12H15ClN2/c1-9-11(7-15(2)8-13)10-5-3-4-6-12(10)14-9/h3-6,14H,7-8H2,1-2H3
InChIKeyWBLJNBPRERJAPY-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.10
Rot. Bonds3

About N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine

N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine (PubChem CID 115263193) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound NameN-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
PubChem CID115263193
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC NameN-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2ccccc2c1CN(C)CCl
InChIInChI=1S/C12H15ClN2/c1-9-11(7-15(2)8-13)10-5-3-4-6-12(10)14-9/h3-6,14H,7-8H2,1-2H3
InChIKeyWBLJNBPRERJAPY-UHFFFAOYSA-N
XLogP3.10
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-dimethyl-1-N-[(2-methyl-1H-indol-3-yl)methyl]butane-1,3-diamine
CID 115200722
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
2-N-methyl-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
CID 115124521
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
CID 115231231
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine (CID 115263193) is N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine is Cc1[nH]c2ccccc2c1CN(C)CCl.
What is the InChIKey of N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine?
The InChIKey is WBLJNBPRERJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-9-11(7-15(2)8-13)10-5-3-4-6-12(10)14-9/h3-6,14H,7-8H2,1-2H3.
What are the key properties of N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine?
N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine has a molecular weight of 222.72 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 115263193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).