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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Related Compounds

4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
CID 82498291
2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine
CID 156735251
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
CID 82498772
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine
CID 96675442
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82500218
3-(2-aminoethyl)-4-methyl-6-propan-2-yloxy-1H-quinolin-2-one
CID 84638203
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889

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).