1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine

C13H17ClN2 — CID 83868332

IUPAC1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
SMILESCNC(C)c1c(C)c2cccc(Cl)c2n1C
InChIInChI=1S/C13H17ClN2/c1-8-10-6-5-7-11(14)13(10)16(4)12(8)9(2)15-3/h5-7,9,15H,1-4H3
InChIKeyNSFPWFSVMZRXCU-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.42
Rot. Bonds2

About 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine

1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine (PubChem CID 83868332) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
PubChem CID83868332
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
SMILESCNC(C)c1c(C)c2cccc(Cl)c2n1C
InChIInChI=1S/C13H17ClN2/c1-8-10-6-5-7-11(14)13(10)16(4)12(8)9(2)15-3/h5-7,9,15H,1-4H3
InChIKeyNSFPWFSVMZRXCU-UHFFFAOYSA-N
XLogP3.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.42
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

2-(7-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 83868342
1-(1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83859797
1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine
CID 84642831
N-methyl-1-(1,3,4,7-tetramethylindol-2-yl)ethanamine
CID 83859802
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
8-chloro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84639727
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one
CID 84634094
1-(3-bromo-7-chloro-1-methylindol-2-yl)-N-methylmethanamine
CID 84643734
1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine
CID 83868417
2-chloro-1,3,7-trimethylindole
CID 117127854
1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine (CID 83868332) is 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine is CNC(C)c1c(C)c2cccc(Cl)c2n1C.
What is the InChIKey of 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine?
The InChIKey is NSFPWFSVMZRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8-10-6-5-7-11(14)13(10)16(4)12(8)9(2)15-3/h5-7,9,15H,1-4H3.
What are the key properties of 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine?
1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine has a molecular weight of 236.75 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 83868332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).