2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine

C15H22N2O — CID 82498330

IUPAC2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
SMILESCc1c(CCN)c2cc(OC(C)C)ccc2n1C
InChIInChI=1S/C15H22N2O/c1-10(2)18-12-5-6-15-14(9-12)13(7-8-16)11(3)17(15)4/h5-6,9-10H,7-8,16H2,1-4H3
InChIKeyRVCZYHAJCCKWJO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.78
Rot. Bonds4

About 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine

2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine (PubChem CID 82498330) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
PubChem CID82498330
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
SMILESCc1c(CCN)c2cc(OC(C)C)ccc2n1C
InChIInChI=1S/C15H22N2O/c1-10(2)18-12-5-6-15-14(9-12)13(7-8-16)11(3)17(15)4/h5-6,9-10H,7-8,16H2,1-4H3
InChIKeyRVCZYHAJCCKWJO-UHFFFAOYSA-N
XLogP2.78
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine?
The IUPAC name of 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine (CID 82498330) is 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine?
The canonical SMILES for 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine is Cc1c(CCN)c2cc(OC(C)C)ccc2n1C.
What is the InChIKey of 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine?
The InChIKey is RVCZYHAJCCKWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)18-12-5-6-15-14(9-12)13(7-8-16)11(3)17(15)4/h5-6,9-10H,7-8,16H2,1-4H3.
What are the key properties of 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine?
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine is sourced from PubChem (CID 82498330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).