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

C12H15ClN2 — CID 83868331

IUPAC1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
SMILESCNCc1c(C)c2cc(Cl)ccc2n1C
InChIInChI=1S/C12H15ClN2/c1-8-10-6-9(13)4-5-11(10)15(3)12(8)7-14-2/h4-6,14H,7H2,1-3H3
InChIKeyVLSIFHWWXIKOTC-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.86
Rot. Bonds2

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

1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine (PubChem CID 83868331) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
PubChem CID83868331
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
SMILESCNCc1c(C)c2cc(Cl)ccc2n1C
InChIInChI=1S/C12H15ClN2/c1-8-10-6-9(13)4-5-11(10)15(3)12(8)7-14-2/h4-6,14H,7H2,1-3H3
InChIKeyVLSIFHWWXIKOTC-UHFFFAOYSA-N
XLogP2.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.86
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-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695
1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
CID 84643740
N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
CID 84622406
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
2-(5-chloro-3-methyl-2-propylindol-1-yl)acetonitrile
CID 20756772
1-(6-chloro-2-methylindazol-3-yl)-N-methylmethanamine
CID 84722980
5-chloro-2-ethyl-1-methylindole-3-carbaldehyde
CID 84687258
N-methyl-1-(1,3,5,7-tetramethylindol-2-yl)methanamine
CID 83859786

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine (CID 83868331) is 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine is CNCc1c(C)c2cc(Cl)ccc2n1C.
What is the InChIKey of 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine?
The InChIKey is VLSIFHWWXIKOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-10-6-9(13)4-5-11(10)15(3)12(8)7-14-2/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine?
1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine has a molecular weight of 222.72 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 83868331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).