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

C19H25NO — CID 106985853

IUPAC3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(C13CC4CC(CC(C4)C1)C3)CN2
InChIInChI=1S/C19H25NO/c1-21-15-2-3-18-16(7-15)17(11-20-18)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,17,20H,4-6,8-11H2,1H3
InChIKeyLPYCPOJOMDTDLI-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.42
Rot. Bonds2

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

3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole (PubChem CID 106985853) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole
PubChem CID106985853
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(C13CC4CC(CC(C4)C1)C3)CN2
InChIInChI=1S/C19H25NO/c1-21-15-2-3-18-16(7-15)17(11-20-18)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,17,20H,4-6,8-11H2,1H3
InChIKeyLPYCPOJOMDTDLI-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.42
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

5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84627031
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 101139837
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 66651136
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione
CID 87090554

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole (CID 106985853) is 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole is COc1ccc2c(c1)C(C13CC4CC(CC(C4)C1)C3)CN2.
What is the InChIKey of 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole?
The InChIKey is LPYCPOJOMDTDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-21-15-2-3-18-16(7-15)17(11-20-18)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,17,20H,4-6,8-11H2,1H3.
What are the key properties of 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole?
3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole has a molecular weight of 283.41 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).