4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol

C16H24N2O — CID 115217891

IUPAC4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
SMILESCc1[nH]c2ccccc2c1CCN(C)CCCCO
InChIInChI=1S/C16H24N2O/c1-13-14(9-11-18(2)10-5-6-12-19)15-7-3-4-8-16(15)17-13/h3-4,7-8,17,19H,5-6,9-12H2,1-2H3
InChIKeyIOQNYAUALZKMHG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.72
Rot. Bonds7

About 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol

4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol (PubChem CID 115217891) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
PubChem CID115217891
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
SMILESCc1[nH]c2ccccc2c1CCN(C)CCCCO
InChIInChI=1S/C16H24N2O/c1-13-14(9-11-18(2)10-5-6-12-19)15-7-3-4-8-16(15)17-13/h3-4,7-8,17,19H,5-6,9-12H2,1-2H3
InChIKeyIOQNYAUALZKMHG-UHFFFAOYSA-N
XLogP2.72
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butanenitrile
CID 115232046
3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
CID 115231231
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
CID 12575442
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
CID 115263193
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol?
The IUPAC name of 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol (CID 115217891) is 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol?
The canonical SMILES for 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol is Cc1[nH]c2ccccc2c1CCN(C)CCCCO.
What is the InChIKey of 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol?
The InChIKey is IOQNYAUALZKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-14(9-11-18(2)10-5-6-12-19)15-7-3-4-8-16(15)17-13/h3-4,7-8,17,19H,5-6,9-12H2,1-2H3.
What are the key properties of 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol?
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 115217891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).