[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol

C13H18N2O — CID 102912856

IUPAC[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
SMILESCN(C)CCn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H18N2O/c1-14(2)7-8-15-6-5-12-9-11(10-16)3-4-13(12)15/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyYAFUBXWKWWLJMK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.70
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol

[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol (PubChem CID 102912856) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
PubChem CID102912856
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
SMILESCN(C)CCn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H18N2O/c1-14(2)7-8-15-6-5-12-9-11(10-16)3-4-13(12)15/h3-6,9,16H,7-8,10H2,1-2H3
InChIKeyYAFUBXWKWWLJMK-UHFFFAOYSA-N
XLogP1.70
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol (CID 102912856) is [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol is CN(C)CCn1ccc2cc(CO)ccc21.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol?
The InChIKey is YAFUBXWKWWLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14(2)7-8-15-6-5-12-9-11(10-16)3-4-13(12)15/h3-6,9,16H,7-8,10H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol?
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol has a molecular weight of 218.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]indol-5-yl]methanol is sourced from PubChem (CID 102912856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).