2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine

C15H22N2 — CID 1381973

IUPAC2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
SMILESCC[C@@H](C)c1ccc2[nH]c(C)c(CCN)c2c1
InChIInChI=1S/C15H22N2/c1-4-10(2)12-5-6-15-14(9-12)13(7-8-16)11(3)17-15/h5-6,9-10,17H,4,7-8,16H2,1-3H3/t10-/m1/s1
InChIKeyVLOQYQXITQGPDY-SNVBAGLBSA-N
MW230.35 g/mol
LogP3.49
Rot. Bonds4

About 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine

2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine (PubChem CID 1381973) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
PubChem CID1381973
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
SMILESCC[C@@H](C)c1ccc2[nH]c(C)c(CCN)c2c1
InChIInChI=1S/C15H22N2/c1-4-10(2)12-5-6-15-14(9-12)13(7-8-16)11(3)17-15/h5-6,9-10,17H,4,7-8,16H2,1-3H3/t10-/m1/s1
InChIKeyVLOQYQXITQGPDY-SNVBAGLBSA-N
XLogP3.49
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine (CID 1381973) is 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine is CC[C@@H](C)c1ccc2[nH]c(C)c(CCN)c2c1.
What is the InChIKey of 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine?
The InChIKey is VLOQYQXITQGPDY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-10(2)12-5-6-15-14(9-12)13(7-8-16)11(3)17-15/h5-6,9-10,17H,4,7-8,16H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine?
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 1381973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).