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

C12H15ClN2 — CID 82494517

IUPAC1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C12H15ClN2/c1-8-11(7-14-2)10-6-9(13)4-5-12(10)15(8)3/h4-6,14H,7H2,1-3H3
InChIKeyBRNOUCABBFQDRW-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.86
Rot. Bonds2

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

1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine (PubChem CID 82494517) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
PubChem CID82494517
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C12H15ClN2/c1-8-11(7-14-2)10-6-9(13)4-5-12(10)15(8)3/h4-6,14H,7H2,1-3H3
InChIKeyBRNOUCABBFQDRW-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

1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83868331
1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine
CID 82501498
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82501546
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82501198
2-amino-3-(5-chloro-1,2-dimethylindol-3-yl)propanoic acid
CID 122499642
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695
1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine
CID 84635895
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84639810
1,2-dimethyl-3-(methylaminomethyl)indole-6-carboxylic acid
CID 68901983
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
CID 138981272
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine (CID 82494517) is 1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine is CNCc1c(C)n(C)c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine?
The InChIKey is BRNOUCABBFQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-11(7-14-2)10-6-9(13)4-5-12(10)15(8)3/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine?
1-(5-chloro-1,2-dimethylindol-3-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-1,2-dimethylindol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 82494517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).