2-(1-propan-2-ylindol-2-yl)ethanamine

C13H18N2 — CID 83860167

IUPAC2-(1-propan-2-ylindol-2-yl)ethanamine
SMILESCC(C)n1c(CCN)cc2ccccc21
InChIInChI=1S/C13H18N2/c1-10(2)15-12(7-8-14)9-11-5-3-4-6-13(11)15/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyBNGHPFDXJTYISQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.72
Rot. Bonds3

About 2-(1-propan-2-ylindol-2-yl)ethanamine

2-(1-propan-2-ylindol-2-yl)ethanamine (PubChem CID 83860167) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(1-propan-2-ylindol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-propan-2-ylindol-2-yl)ethanamine
PubChem CID83860167
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(1-propan-2-ylindol-2-yl)ethanamine
SMILESCC(C)n1c(CCN)cc2ccccc21
InChIInChI=1S/C13H18N2/c1-10(2)15-12(7-8-14)9-11-5-3-4-6-13(11)15/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyBNGHPFDXJTYISQ-UHFFFAOYSA-N
XLogP2.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylindol-2-yl)ethanamine?
The IUPAC name of 2-(1-propan-2-ylindol-2-yl)ethanamine (CID 83860167) is 2-(1-propan-2-ylindol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-propan-2-ylindol-2-yl)ethanamine?
The canonical SMILES for 2-(1-propan-2-ylindol-2-yl)ethanamine is CC(C)n1c(CCN)cc2ccccc21.
What is the InChIKey of 2-(1-propan-2-ylindol-2-yl)ethanamine?
The InChIKey is BNGHPFDXJTYISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)15-12(7-8-14)9-11-5-3-4-6-13(11)15/h3-6,9-10H,7-8,14H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylindol-2-yl)ethanamine?
2-(1-propan-2-ylindol-2-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylindol-2-yl)ethanamine is sourced from PubChem (CID 83860167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).