5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole

C13H19NO — CID 106986376

IUPAC5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(CC(C)C)CN2
InChIInChI=1S/C13H19NO/c1-9(2)6-10-8-14-13-5-4-11(15-3)7-12(10)13/h4-5,7,9-10,14H,6,8H2,1-3H3
InChIKeyQRFDVQGMPPYKGZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.25
Rot. Bonds3

About 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole

5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole (PubChem CID 106986376) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
PubChem CID106986376
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(CC(C)C)CN2
InChIInChI=1S/C13H19NO/c1-9(2)6-10-8-14-13-5-4-11(15-3)7-12(10)13/h4-5,7,9-10,14H,6,8H2,1-3H3
InChIKeyQRFDVQGMPPYKGZ-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277205
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127533
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole
CID 106986180

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole (CID 106986376) is 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole is COc1ccc2c(c1)C(CC(C)C)CN2.
What is the InChIKey of 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The InChIKey is QRFDVQGMPPYKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)6-10-8-14-13-5-4-11(15-3)7-12(10)13/h4-5,7,9-10,14H,6,8H2,1-3H3.
What are the key properties of 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole has a molecular weight of 205.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).