(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole

C23H23NO — CID 15437709

IUPAC(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole
SMILESC[C@H]1CN(Cc2ccccc2)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C23H23NO/c1-18-15-24(16-19-8-4-2-5-9-19)23-13-12-21(14-22(18)23)25-17-20-10-6-3-7-11-20/h2-14,18H,15-17H2,1H3/t18-/m0/s1
InChIKeyMPEMEIGENOXFTN-SFHVURJKSA-N
MW329.44 g/mol
LogP5.39
Rot. Bonds5

About (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole

(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole (PubChem CID 15437709) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole
PubChem CID15437709
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole
SMILESC[C@H]1CN(Cc2ccccc2)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C23H23NO/c1-18-15-24(16-19-8-4-2-5-9-19)23-13-12-21(14-22(18)23)25-17-20-10-6-3-7-11-20/h2-14,18H,15-17H2,1H3/t18-/m0/s1
InChIKeyMPEMEIGENOXFTN-SFHVURJKSA-N
XLogP5.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
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

1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole
CID 10054281
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CID 178186917
(3aR,9bR)-2-benzyl-8-phenylmethoxy-3,3a,5,9b-tetrahydroisochromeno[3,4-c]pyrrol-1-one
CID 59448536
10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine
CID 166715740
(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 166626926
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
methyl 2-[(1-benzyl-3-methyl-2,3-dihydroindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylate
CID 144618962
(3aR,9bR)-2-benzyl-8-phenylmethoxy-3,3a,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole
CID 59448433
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine
CID 23111462
(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 101357683

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole?
The IUPAC name of (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole (CID 15437709) is (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole.
What is the SMILES notation for (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole?
The canonical SMILES for (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole is C[C@H]1CN(Cc2ccccc2)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole?
The InChIKey is MPEMEIGENOXFTN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23NO/c1-18-15-24(16-19-8-4-2-5-9-19)23-13-12-21(14-22(18)23)25-17-20-10-6-3-7-11-20/h2-14,18H,15-17H2,1H3/t18-/m0/s1.
What are the key properties of (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole?
(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole has a molecular weight of 329.44 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole is sourced from PubChem (CID 15437709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).