2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole

C16H17NO — CID 166452154

IUPAC2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
SMILESCC1Cc2cc(OCc3ccccc3)ccc2N1
InChIInChI=1S/C16H17NO/c1-12-9-14-10-15(7-8-16(14)17-12)18-11-13-5-3-2-4-6-13/h2-8,10,12,17H,9,11H2,1H3
InChIKeyWMEMEHPQLCGVKJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.62
Rot. Bonds3

About 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole

2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole (PubChem CID 166452154) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
PubChem CID166452154
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
SMILESCC1Cc2cc(OCc3ccccc3)ccc2N1
InChIInChI=1S/C16H17NO/c1-12-9-14-10-15(7-8-16(14)17-12)18-11-13-5-3-2-4-6-13/h2-8,10,12,17H,9,11H2,1H3
InChIKeyWMEMEHPQLCGVKJ-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.62
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-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 142624947
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121271858
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
CID 59448572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole?
The IUPAC name of 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole (CID 166452154) is 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole is CC1Cc2cc(OCc3ccccc3)ccc2N1.
What is the InChIKey of 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole?
The InChIKey is WMEMEHPQLCGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-9-14-10-15(7-8-16(14)17-12)18-11-13-5-3-2-4-6-13/h2-8,10,12,17H,9,11H2,1H3.
What are the key properties of 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole?
2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 166452154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).