(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole

C16H16BrN — CID 102138912

IUPAC(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole
SMILESC[C@H]1Nc2ccccc2[C@H]1Cc1ccc(Br)cc1
InChIInChI=1S/C16H16BrN/c1-11-15(10-12-6-8-13(17)9-7-12)14-4-2-3-5-16(14)18-11/h2-9,11,15,18H,10H2,1H3/t11-,15+/m1/s1
InChIKeySHLJQNVLLCMJND-ABAIWWIYSA-N
MW302.22 g/mol
LogP4.59
Rot. Bonds2

About (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole

(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole (PubChem CID 102138912) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole
PubChem CID102138912
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC Name(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole
SMILESC[C@H]1Nc2ccccc2[C@H]1Cc1ccc(Br)cc1
InChIInChI=1S/C16H16BrN/c1-11-15(10-12-6-8-13(17)9-7-12)14-4-2-3-5-16(14)18-11/h2-9,11,15,18H,10H2,1H3/t11-,15+/m1/s1
InChIKeySHLJQNVLLCMJND-ABAIWWIYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole (CID 102138912) is (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole is C[C@H]1Nc2ccccc2[C@H]1Cc1ccc(Br)cc1.
What is the InChIKey of (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is SHLJQNVLLCMJND-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-11-15(10-12-6-8-13(17)9-7-12)14-4-2-3-5-16(14)18-11/h2-9,11,15,18H,10H2,1H3/t11-,15+/m1/s1.
What are the key properties of (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole?
(2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 302.22 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(4-bromophenyl)methyl]-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 102138912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).