3-[6-(aminomethyl)indol-1-yl]propan-1-ol

C12H16N2O — CID 102916381

IUPAC3-[6-(aminomethyl)indol-1-yl]propan-1-ol
SMILESNCc1ccc2ccn(CCCO)c2c1
InChIInChI=1S/C12H16N2O/c13-9-10-2-3-11-4-6-14(5-1-7-15)12(11)8-10/h2-4,6,8,15H,1,5,7,9,13H2
InChIKeyIOVLBHGASRNMAX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.48
Rot. Bonds4

About 3-[6-(aminomethyl)indol-1-yl]propan-1-ol

3-[6-(aminomethyl)indol-1-yl]propan-1-ol (PubChem CID 102916381) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[6-(aminomethyl)indol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-(aminomethyl)indol-1-yl]propan-1-ol
PubChem CID102916381
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-[6-(aminomethyl)indol-1-yl]propan-1-ol
SMILESNCc1ccc2ccn(CCCO)c2c1
InChIInChI=1S/C12H16N2O/c13-9-10-2-3-11-4-6-14(5-1-7-15)12(11)8-10/h2-4,6,8,15H,1,5,7,9,13H2
InChIKeyIOVLBHGASRNMAX-UHFFFAOYSA-N
XLogP1.48
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-phenylbutyl)indol-6-yl]methanamine
CID 102916392
1-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
CID 65165019
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine
CID 102916378
2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol
CID 102915452
[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
1-(5-hydroxypentyl)indole-6-carbaldehyde
CID 102911097
3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-ol
CID 117223985
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831

Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)indol-1-yl]propan-1-ol?
The IUPAC name of 3-[6-(aminomethyl)indol-1-yl]propan-1-ol (CID 102916381) is 3-[6-(aminomethyl)indol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[6-(aminomethyl)indol-1-yl]propan-1-ol?
The canonical SMILES for 3-[6-(aminomethyl)indol-1-yl]propan-1-ol is NCc1ccc2ccn(CCCO)c2c1.
What is the InChIKey of 3-[6-(aminomethyl)indol-1-yl]propan-1-ol?
The InChIKey is IOVLBHGASRNMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-9-10-2-3-11-4-6-14(5-1-7-15)12(11)8-10/h2-4,6,8,15H,1,5,7,9,13H2.
What are the key properties of 3-[6-(aminomethyl)indol-1-yl]propan-1-ol?
3-[6-(aminomethyl)indol-1-yl]propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)indol-1-yl]propan-1-ol is sourced from PubChem (CID 102916381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).