4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol

C15H22N2O — CID 115217783

IUPAC4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol
SMILESCn1cc(CCNCCCCO)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-17-12-13(8-10-16-9-4-5-11-18)14-6-2-3-7-15(14)17/h2-3,6-7,12,16,18H,4-5,8-11H2,1H3
InChIKeyAZAFEBOXHOUOBY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.08
Rot. Bonds7

About 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol

4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol (PubChem CID 115217783) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol
PubChem CID115217783
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol
SMILESCn1cc(CCNCCCCO)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-17-12-13(8-10-16-9-4-5-11-18)14-6-2-3-7-15(14)17/h2-3,6-7,12,16,18H,4-5,8-11H2,1H3
InChIKeyAZAFEBOXHOUOBY-UHFFFAOYSA-N
XLogP2.08
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile
CID 115231099
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214284
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol (CID 115217783) is 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol is Cn1cc(CCNCCCCO)c2ccccc21.
What is the InChIKey of 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol?
The InChIKey is AZAFEBOXHOUOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-12-13(8-10-16-9-4-5-11-18)14-6-2-3-7-15(14)17/h2-3,6-7,12,16,18H,4-5,8-11H2,1H3.
What are the key properties of 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol?
4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115217783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).