(3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine

C20H22BrN — CID 146535594

IUPAC(3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine
SMILESBrc1ccccc1CC[C@@H]1C=CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H22BrN/c21-20-11-5-4-10-19(20)13-12-18-9-6-14-22(16-18)15-17-7-2-1-3-8-17/h1-11,18H,12-16H2/t18-/m0/s1
InChIKeyUTPGYNTXIPRMMP-SFHVURJKSA-N
MW356.31 g/mol
LogP5.07
Rot. Bonds5

About (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine

(3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine (PubChem CID 146535594) has the molecular formula C20H22BrN and a molecular weight of 356.31 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine
PubChem CID146535594
Molecular FormulaC20H22BrN
Molecular Weight356.31 g/mol
Exact Mass355.09
IUPAC Name(3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine
SMILESBrc1ccccc1CC[C@@H]1C=CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H22BrN/c21-20-11-5-4-10-19(20)13-12-18-9-6-14-22(16-18)15-17-7-2-1-3-8-17/h1-11,18H,12-16H2/t18-/m0/s1
InChIKeyUTPGYNTXIPRMMP-SFHVURJKSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.31
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine
CID 146451701
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
(3S,4S)-1-benzyl-4-phenylmethoxy-2,3,4,7-tetrahydroazepin-3-ol
CID 45101702
(3R,4R)-1-benzyl-4-phenylmethoxy-2,3,4,7-tetrahydroazepin-3-ol
CID 50906529
3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine
CID 167582068
1-benzylazetidine-3-carbonitrile
CID 19814762
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210
3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane
CID 83825905
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
3-[2-(2-bromophenyl)ethyl]-3,6-diazabicyclo[3.1.1]heptane
CID 84812065
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800506
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine (CID 146535594) is (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine is Brc1ccccc1CC[C@@H]1C=CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is UTPGYNTXIPRMMP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22BrN/c21-20-11-5-4-10-19(20)13-12-18-9-6-14-22(16-18)15-17-7-2-1-3-8-17/h1-11,18H,12-16H2/t18-/m0/s1.
What are the key properties of (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine?
(3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 356.31 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[2-(2-bromophenyl)ethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146535594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).