3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol

C15H22N2O2 — CID 171520765

IUPAC3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol
SMILESCOC(C)n1cc(CCN(C)C)c2c(O)cccc21
InChIInChI=1S/C15H22N2O2/c1-11(19-4)17-10-12(8-9-16(2)3)15-13(17)6-5-7-14(15)18/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyKVZCQXZOLCODNG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.62
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol

3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol (PubChem CID 171520765) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol
PubChem CID171520765
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol
SMILESCOC(C)n1cc(CCN(C)C)c2c(O)cccc21
InChIInChI=1S/C15H22N2O2/c1-11(19-4)17-10-12(8-9-16(2)3)15-13(17)6-5-7-14(15)18/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyKVZCQXZOLCODNG-UHFFFAOYSA-N
XLogP2.62
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-[2-(dimethylamino)ethyl]-4-hydroxyindol-1-yl]-2,2-dimethylpropanoate
CID 175587997
2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine
CID 101182363
3-(2-aminopropyl)-1-propan-2-ylindol-4-ol
CID 83918695
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol
CID 156852043
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride
CID 166732600
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-4-yl]methanamine
CID 117171620
3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
CID 167469231
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616
formaldehyde;methanol;2-[6-methoxy-1-(1-methoxyethyl)indol-3-yl]-N,N-dimethylethanamine;1-propan-2-yl-4H-pyridine-3-carbaldehyde
CID 168931255
propan-2-yloxycarbonyl 3-[2-(dimethylamino)ethyl]indole-1-carboperoxoate
CID 166467483
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol (CID 171520765) is 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol is COC(C)n1cc(CCN(C)C)c2c(O)cccc21.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol?
The InChIKey is KVZCQXZOLCODNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(19-4)17-10-12(8-9-16(2)3)15-13(17)6-5-7-14(15)18/h5-7,10-11,18H,8-9H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol?
3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol has a molecular weight of 262.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol is sourced from PubChem (CID 171520765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).