N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine

C12H15ClN2 — CID 115263517

IUPACN-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
SMILESCN(CCl)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15ClN2/c1-15(9-13)7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,9H2,1H3
InChIKeySLGQIURNZRARFS-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.84
Rot. Bonds4

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

N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine (PubChem CID 115263517) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
PubChem CID115263517
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC NameN-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
SMILESCN(CCl)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15ClN2/c1-15(9-13)7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,9H2,1H3
InChIKeySLGQIURNZRARFS-UHFFFAOYSA-N
XLogP2.84
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 156836279
CID 156836279
2-(1H-indol-3-yl)-N,N-dimethylethanamine;2,2,4,4-tetramethylcyclobutane-1,3-diol
CID 175320113
N-benzyl-2-(1H-indol-3-yl)-N-methylethanamine;formaldehyde;propane;undecane
CID 143452594
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine (CID 115263517) is N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine is CN(CCl)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine?
The InChIKey is SLGQIURNZRARFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-15(9-13)7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine?
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine has a molecular weight of 222.72 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 115263517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).