4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol

C14H20N2O — CID 102913373

IUPAC4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1ccc2cccc(CN)c21
InChIInChI=1S/C14H20N2O/c1-14(2,17)7-9-16-8-6-11-4-3-5-12(10-15)13(11)16/h3-6,8,17H,7,9-10,15H2,1-2H3
InChIKeyXGJMROHPWFDCBK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds4

About 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol

4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol (PubChem CID 102913373) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
PubChem CID102913373
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1ccc2cccc(CN)c21
InChIInChI=1S/C14H20N2O/c1-14(2,17)7-9-16-8-6-11-4-3-5-12(10-15)13(11)16/h3-6,8,17H,7,9-10,15H2,1-2H3
InChIKeyXGJMROHPWFDCBK-UHFFFAOYSA-N
XLogP2.26
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
4-[7-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102915153
5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102913556
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine
CID 113474456
1-(1-ethylindol-7-yl)-2-methylpropan-2-ol
CID 115115004
[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-7-yl]methanamine
CID 103005659
2-(1-propylindol-7-yl)ethanamine
CID 102917066
2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
CID 102913711
2-methyl-1-(1-methylindol-7-yl)propan-2-ol
CID 115115003
5-[7-(2-aminoethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102917116
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922

Frequently Asked Questions

What is the IUPAC name of 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol (CID 102913373) is 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCn1ccc2cccc(CN)c21.
What is the InChIKey of 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol?
The InChIKey is XGJMROHPWFDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,17)7-9-16-8-6-11-4-3-5-12(10-15)13(11)16/h3-6,8,17H,7,9-10,15H2,1-2H3.
What are the key properties of 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol?
4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol has a molecular weight of 232.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 102913373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).