N,N-dibenzyl-3-bromoaniline

C20H18BrN — CID 18692655

IUPACN,N-dibenzyl-3-bromoaniline
SMILESBrc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C20H18BrN/c21-19-12-7-13-20(14-19)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyLETHNKDTJWYRTF-UHFFFAOYSA-N
MW352.28 g/mol
LogP5.66
Rot. Bonds5

About N,N-dibenzyl-3-bromoaniline

N,N-dibenzyl-3-bromoaniline (PubChem CID 18692655) has the molecular formula C20H18BrN and a molecular weight of 352.28 g/mol. Its IUPAC name is N,N-dibenzyl-3-bromoaniline.

Molecular Properties

Compound NameN,N-dibenzyl-3-bromoaniline
PubChem CID18692655
Molecular FormulaC20H18BrN
Molecular Weight352.28 g/mol
Exact Mass351.06
IUPAC NameN,N-dibenzyl-3-bromoaniline
SMILESBrc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C20H18BrN/c21-19-12-7-13-20(14-19)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKeyLETHNKDTJWYRTF-UHFFFAOYSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.28
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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n,n-Dibenzyl-4-bromoaniline
CID 285423
3-Bromo-N,N-diphenylaniline
CID 16217851
US9205085, Msx-164
CID 14847939
N,N-Dibenzyl-4-methylaniline
CID 221519
Benzyldiphenylamine
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N-Benzyl-3-bromoaniline
CID 9965096
4-[(dibenzylamino)methyl]-N,N-diethylaniline
CID 71623341
3-bromo-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]aniline
CID 90656679
Benzyl(3,5-dibromo-phenyl)-amine
CID 10640949

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-bromoaniline?
The IUPAC name of N,N-dibenzyl-3-bromoaniline (CID 18692655) is N,N-dibenzyl-3-bromoaniline.
What is the SMILES notation for N,N-dibenzyl-3-bromoaniline?
The canonical SMILES for N,N-dibenzyl-3-bromoaniline is Brc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-3-bromoaniline?
The InChIKey is LETHNKDTJWYRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN/c21-19-12-7-13-20(14-19)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2.
What are the key properties of N,N-dibenzyl-3-bromoaniline?
N,N-dibenzyl-3-bromoaniline has a molecular weight of 352.28 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-bromoaniline is sourced from PubChem (CID 18692655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).