2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine

C13H17ClN2 — CID 84628695

IUPAC2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
SMILESCNCCc1c(C)c2cc(Cl)ccc2n1C
InChIInChI=1S/C13H17ClN2/c1-9-11-8-10(14)4-5-13(11)16(3)12(9)6-7-15-2/h4-5,8,15H,6-7H2,1-3H3
InChIKeyFJAYLCMLGVQPAQ-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.90
Rot. Bonds3

About 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine

2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine (PubChem CID 84628695) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
PubChem CID84628695
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
SMILESCNCCc1c(C)c2cc(Cl)ccc2n1C
InChIInChI=1S/C13H17ClN2/c1-9-11-8-10(14)4-5-13(11)16(3)12(9)6-7-15-2/h4-5,8,15H,6-7H2,1-3H3
InChIKeyFJAYLCMLGVQPAQ-UHFFFAOYSA-N
XLogP2.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
CID 84622406
1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83868331
2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84642807
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262610
(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82501546
2-(5-chloro-3-methyl-2-propylindol-1-yl)acetonitrile
CID 20756772
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82501198
6-methoxy-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84638183

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine (CID 84628695) is 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine is CNCCc1c(C)c2cc(Cl)ccc2n1C.
What is the InChIKey of 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine?
The InChIKey is FJAYLCMLGVQPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9-11-8-10(14)4-5-13(11)16(3)12(9)6-7-15-2/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine?
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine has a molecular weight of 236.75 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84628695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).