4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol

C14H20N2O — CID 113399056

IUPAC4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
SMILESCNCc1cn(CCC(C)O)c2ccccc12
InChIInChI=1S/C14H20N2O/c1-11(17)7-8-16-10-12(9-15-2)13-5-3-4-6-14(13)16/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyVWUOVTMWBBZWJB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.13
Rot. Bonds5

About 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol

4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol (PubChem CID 113399056) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
PubChem CID113399056
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
SMILESCNCc1cn(CCC(C)O)c2ccccc12
InChIInChI=1S/C14H20N2O/c1-11(17)7-8-16-10-12(9-15-2)13-5-3-4-6-14(13)16/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyVWUOVTMWBBZWJB-UHFFFAOYSA-N
XLogP2.13
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
CID 66408219
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
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
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
methyl 3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanoate
CID 66403285
1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102856737
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol?
The IUPAC name of 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol (CID 113399056) is 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol?
The canonical SMILES for 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol is CNCc1cn(CCC(C)O)c2ccccc12.
What is the InChIKey of 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol?
The InChIKey is VWUOVTMWBBZWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(17)7-8-16-10-12(9-15-2)13-5-3-4-6-14(13)16/h3-6,10-11,15,17H,7-9H2,1-2H3.
What are the key properties of 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol?
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol has a molecular weight of 232.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol is sourced from PubChem (CID 113399056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).