2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol

C16H24N2O2 — CID 66402697

IUPAC2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
SMILESCC(C)NCc1cn(CCOCCO)c2ccccc12
InChIInChI=1S/C16H24N2O2/c1-13(2)17-11-14-12-18(7-9-20-10-8-19)16-6-4-3-5-15(14)16/h3-6,12-13,17,19H,7-11H2,1-2H3
InChIKeyWCQBPPXHHWFSBD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds8

About 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol

2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol (PubChem CID 66402697) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
PubChem CID66402697
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
SMILESCC(C)NCc1cn(CCOCCO)c2ccccc12
InChIInChI=1S/C16H24N2O2/c1-13(2)17-11-14-12-18(7-9-20-10-8-19)16-6-4-3-5-15(14)16/h3-6,12-13,17,19H,7-11H2,1-2H3
InChIKeyWCQBPPXHHWFSBD-UHFFFAOYSA-N
XLogP2.15
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
CID 106455248
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66407995
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol (CID 66402697) is 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol is CC(C)NCc1cn(CCOCCO)c2ccccc12.
What is the InChIKey of 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol?
The InChIKey is WCQBPPXHHWFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)17-11-14-12-18(7-9-20-10-8-19)16-6-4-3-5-15(14)16/h3-6,12-13,17,19H,7-11H2,1-2H3.
What are the key properties of 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol?
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol has a molecular weight of 276.38 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 66402697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).