2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine

C12H18N2O — CID 83860328

IUPAC2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc2c(c1)C(C(C)CN)CN2
InChIInChI=1S/C12H18N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,8,11,14H,6-7,13H2,1-2H3
InChIKeyFBQORRJZHRMEID-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.80
Rot. Bonds3

About 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine

2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine (PubChem CID 83860328) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
PubChem CID83860328
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc2c(c1)C(C(C)CN)CN2
InChIInChI=1S/C12H18N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,8,11,14H,6-7,13H2,1-2H3
InChIKeyFBQORRJZHRMEID-UHFFFAOYSA-N
XLogP1.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860329
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83910921
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
3-bromo-4-[(3-butan-2-yl-2,3-dihydro-1H-indol-5-yl)oxy]aniline
CID 142086357
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
CID 106985857
3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985853

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine (CID 83860328) is 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine is COc1ccc2c(c1)C(C(C)CN)CN2.
What is the InChIKey of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
The InChIKey is FBQORRJZHRMEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,8,11,14H,6-7,13H2,1-2H3.
What are the key properties of 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine?
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83860328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).