1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine

C13H19N3O — CID 82496172

IUPAC1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(C(CN)N(C)C)c[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-16(2)13(7-14)11-8-15-12-6-9(17-3)4-5-10(11)12/h4-6,8,13,15H,7,14H2,1-3H3
InChIKeyQWBNCOYDPZJHIO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.74
Rot. Bonds4

About 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine

1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 82496172) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID82496172
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(C(CN)N(C)C)c[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-16(2)13(7-14)11-8-15-12-6-9(17-3)4-5-10(11)12/h4-6,8,13,15H,7,14H2,1-3H3
InChIKeyQWBNCOYDPZJHIO-UHFFFAOYSA-N
XLogP1.74
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
2-[2-[bis(6-methoxy-1H-indol-3-yl)methyl]phenoxy]aniline
CID 132529278
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
2-(furan-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 82088975
1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
CID 119082213
6-methoxy-1H-indole-3-carbonitrile
CID 53401197
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 96599431

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine (CID 82496172) is 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine is COc1ccc2c(C(CN)N(C)C)c[nH]c2c1.
What is the InChIKey of 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is QWBNCOYDPZJHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)13(7-14)11-8-15-12-6-9(17-3)4-5-10(11)12/h4-6,8,13,15H,7,14H2,1-3H3.
What are the key properties of 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine?
1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 233.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 82496172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).