4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol

C17H26N2O2 — CID 102917022

IUPAC4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
SMILESCOCCNCc1ccc2ccn(CCC(C)(C)O)c2c1
InChIInChI=1S/C17H26N2O2/c1-17(2,20)7-10-19-9-6-15-5-4-14(12-16(15)19)13-18-8-11-21-3/h4-6,9,12,18,20H,7-8,10-11,13H2,1-3H3
InChIKeyVEILWCCMSGXOSB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.54
Rot. Bonds8

About 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol

4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol (PubChem CID 102917022) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
PubChem CID102917022
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
SMILESCOCCNCc1ccc2ccn(CCC(C)(C)O)c2c1
InChIInChI=1S/C17H26N2O2/c1-17(2,20)7-10-19-9-6-15-5-4-14(12-16(15)19)13-18-8-11-21-3/h4-6,9,12,18,20H,7-8,10-11,13H2,1-3H3
InChIKeyVEILWCCMSGXOSB-UHFFFAOYSA-N
XLogP2.54
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.54
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

4-[6-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102916956
2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
CID 83149657
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)indol-6-yl]methyl]ethanamine
CID 102917030
methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79389708
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742
4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102916969

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol (CID 102917022) is 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol is COCCNCc1ccc2ccn(CCC(C)(C)O)c2c1.
What is the InChIKey of 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol?
The InChIKey is VEILWCCMSGXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,20)7-10-19-9-6-15-5-4-14(12-16(15)19)13-18-8-11-21-3/h4-6,9,12,18,20H,7-8,10-11,13H2,1-3H3.
What are the key properties of 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol?
4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 102917022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).