1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine

C12H15ClN2 — CID 83868171

IUPAC1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(Cl)c(C)c2[nH]1
InChIInChI=1S/C12H15ClN2/c1-7-10(13)5-4-9-6-11(8(2)14-3)15-12(7)9/h4-6,8,14-15H,1-3H3
InChIKeySZHRZZFSFVAENF-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.41
Rot. Bonds2

About 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine

1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine (PubChem CID 83868171) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine
PubChem CID83868171
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(Cl)c(C)c2[nH]1
InChIInChI=1S/C12H15ClN2/c1-7-10(13)5-4-9-6-11(8(2)14-3)15-12(7)9/h4-6,8,14-15H,1-3H3
InChIKeySZHRZZFSFVAENF-UHFFFAOYSA-N
XLogP3.41
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-chloro-7-methyl-1H-indol-2-yl)ethanamine
CID 83868177
N-methyl-1-(7-methyl-1H-indol-2-yl)ethanamine
CID 65333714
6-chloro-7-methyl-2-(trifluoromethyl)-1H-indole
CID 84627615
1-(4-chloro-1H-indol-2-yl)-N-methylethanamine
CID 117194460
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine
CID 55276789
7-chloro-2-propan-2-yl-1H-indole
CID 83637222
6-chloro-7-methyl-2-piperidin-2-yl-1H-indole
CID 84633377
7-chloro-8-methyl-3-phenyl-1H-quinolin-2-one
CID 39346054
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine
CID 83868291
1-(7-chloro-1H-indol-2-yl)ethanamine
CID 65333202

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine (CID 83868171) is 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine is CNC(C)c1cc2ccc(Cl)c(C)c2[nH]1.
What is the InChIKey of 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine?
The InChIKey is SZHRZZFSFVAENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7-10(13)5-4-9-6-11(8(2)14-3)15-12(7)9/h4-6,8,14-15H,1-3H3.
What are the key properties of 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine?
1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine has a molecular weight of 222.72 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine is sourced from PubChem (CID 83868171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).