1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine

C11H12Cl2N2 — CID 14373876

IUPAC1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C11H12Cl2N2/c1-15(2)6-7-5-14-11-4-10(13)9(12)3-8(7)11/h3-5,14H,6H2,1-2H3
InChIKeyUOSKXEVWJSTQAG-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.54
Rot. Bonds2

About 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine

1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 14373876) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID14373876
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C11H12Cl2N2/c1-15(2)6-7-5-14-11-4-10(13)9(12)3-8(7)11/h3-5,14H,6H2,1-2H3
InChIKeyUOSKXEVWJSTQAG-UHFFFAOYSA-N
XLogP3.54
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Gramine
CID 6890
5-Chlorotryptamine
CID 77379
ST-1936
CID 9921064
5-Chloroindole
CID 87110
5-Chloro-alphamt
CID 12833
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
Nostocarboline hydroiodide
CID 11515734
6-Chloroindole
CID 87111
7-chloro-1H-indole
CID 104644
Tepirindole
CID 68915
(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
(R,S)-1-(5-chloro-1H-indol-1-yl)propan-2-amine
CID 9855823

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine (CID 14373876) is 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1c[nH]c2cc(Cl)c(Cl)cc12.
What is the InChIKey of 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is UOSKXEVWJSTQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-15(2)6-7-5-14-11-4-10(13)9(12)3-8(7)11/h3-5,14H,6H2,1-2H3.
What are the key properties of 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine?
1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 243.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dichloro-1H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 14373876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).