(2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine

C24H24BrN — CID 22082960

IUPAC(2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1cccc2c1C[C@H](N(Cc1ccccc1)Cc1ccccc1)CC2
InChIInChI=1S/C24H24BrN/c25-24-13-7-12-21-14-15-22(16-23(21)24)26(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-13,22H,14-18H2/t22-/m1/s1
InChIKeyQRBJTKSNGGFMKA-JOCHJYFZSA-N
MW406.37 g/mol
LogP6.01
Rot. Bonds5

About (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 22082960) has the molecular formula C24H24BrN and a molecular weight of 406.37 g/mol. Its IUPAC name is (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID22082960
Molecular FormulaC24H24BrN
Molecular Weight406.37 g/mol
Exact Mass405.11
IUPAC Name(2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1cccc2c1C[C@H](N(Cc1ccccc1)Cc1ccccc1)CC2
InChIInChI=1S/C24H24BrN/c25-24-13-7-12-21-14-15-22(16-23(21)24)26(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-13,22H,14-18H2/t22-/m1/s1
InChIKeyQRBJTKSNGGFMKA-JOCHJYFZSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.37
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanol
CID 20638560
N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide
CID 22082777
(2S)-N,N-dibenzyl-8-(2-methoxypyrimidin-5-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25116059
2-[[(7R)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl-(3,3-dimethylbutan-2-yl)carbamic acid
CID 90736317
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
N,N-dibenzylcyclobutanamine
CID 70822586
(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142027727
2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide
CID 22082736
N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 54535301
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19823465
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine (CID 22082960) is (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1cccc2c1C[C@H](N(Cc1ccccc1)Cc1ccccc1)CC2.
What is the InChIKey of (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is QRBJTKSNGGFMKA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24BrN/c25-24-13-7-12-21-14-15-22(16-23(21)24)26(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-13,22H,14-18H2/t22-/m1/s1.
What are the key properties of (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 406.37 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 22082960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).