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

C12H17NO — CID 124549466

IUPAC(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
SMILESCCC[C@H]1CNc2ccc(OC)cc21
InChIInChI=1S/C12H17NO/c1-3-4-9-8-13-12-6-5-10(14-2)7-11(9)12/h5-7,9,13H,3-4,8H2,1-2H3/t9-/m0/s1
InChIKeySADPKZOJFZCCFJ-VIFPVBQESA-N
MW191.27 g/mol
LogP3.00
Rot. Bonds3

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

(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole (PubChem CID 124549466) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
PubChem CID124549466
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
SMILESCCC[C@H]1CNc2ccc(OC)cc21
InChIInChI=1S/C12H17NO/c1-3-4-9-8-13-12-6-5-10(14-2)7-11(9)12/h5-7,9,13H,3-4,8H2,1-2H3/t9-/m0/s1
InChIKeySADPKZOJFZCCFJ-VIFPVBQESA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276688
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine
CID 83960289
6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623888
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
ethyl N'-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]-N-prop-2-enylcarbamimidothioate
CID 135499139
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole?
The IUPAC name of (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole (CID 124549466) is (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole?
The canonical SMILES for (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole is CCC[C@H]1CNc2ccc(OC)cc21.
What is the InChIKey of (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole?
The InChIKey is SADPKZOJFZCCFJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-9-8-13-12-6-5-10(14-2)7-11(9)12/h5-7,9,13H,3-4,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole?
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole has a molecular weight of 191.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 124549466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).