(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole

C21H19N — CID 7057699

IUPAC(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2
InChIInChI=1S/C21H19N/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)21(22-19)17-10-6-3-7-11-17/h2-14,20-22H,1H3/t20-,21+/m1/s1
InChIKeyZXBKACYTQXFSBP-RTWAWAEBSA-N
MW285.39 g/mol
LogP5.29
Rot. Bonds2

About (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole

(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole (PubChem CID 7057699) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole
PubChem CID7057699
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2
InChIInChI=1S/C21H19N/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)21(22-19)17-10-6-3-7-11-17/h2-14,20-22H,1H3/t20-,21+/m1/s1
InChIKeyZXBKACYTQXFSBP-RTWAWAEBSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid
CID 58190109
diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium
CID 6943841
5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
CID 156800165
ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
CID 156800164
(3aS,4S,9bS)-4-(4-bromophenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 27262178
(3aS,4R,9bR)-4-(4-bromophenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 51689869
4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]phenol
CID 135070669
(3aR,4R,9bS)-8-methyl-4-pyridin-4-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 845348
(3aR,4R,9bR)-4-(4-bromophenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 51689870
4-(8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)benzoic acid
CID 43912308
(3aS,4R,9bR)-4-(3-chlorophenyl)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 51689823
(4aS,10bS)-5-(4-bromophenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 46367369

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole?
The IUPAC name of (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole (CID 7057699) is (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole is Cc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2.
What is the InChIKey of (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole?
The InChIKey is ZXBKACYTQXFSBP-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H19N/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)21(22-19)17-10-6-3-7-11-17/h2-14,20-22H,1H3/t20-,21+/m1/s1.
What are the key properties of (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole?
(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole has a molecular weight of 285.39 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 7057699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).