N-benzyl-3,5-dibromoaniline

C13H11Br2N — CID 10640949

IUPACN-benzyl-3,5-dibromoaniline
SMILESBrc1cc(Br)cc(NCc2ccccc2)c1
InChIInChI=1S/C13H11Br2N/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyPGEQVBGSPPXHRX-UHFFFAOYSA-N
MW341.05 g/mol
LogP4.82
Rot. Bonds3

About N-benzyl-3,5-dibromoaniline

N-benzyl-3,5-dibromoaniline (PubChem CID 10640949) has the molecular formula C13H11Br2N and a molecular weight of 341.05 g/mol. Its IUPAC name is N-benzyl-3,5-dibromoaniline.

Molecular Properties

Compound NameN-benzyl-3,5-dibromoaniline
PubChem CID10640949
Molecular FormulaC13H11Br2N
Molecular Weight341.05 g/mol
Exact Mass338.93
IUPAC NameN-benzyl-3,5-dibromoaniline
SMILESBrc1cc(Br)cc(NCc2ccccc2)c1
InChIInChI=1S/C13H11Br2N/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyPGEQVBGSPPXHRX-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.05
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-bromo-3,5-dimethylaniline
CID 107572244
CID 163931246
CID 163931246
N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104938204
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
4-(benzylamino)-2-bromobenzoic acid
CID 107281682
N-benzyl-3,4-difluoroaniline
CID 21321396
3-(benzylamino)benzenethiol
CID 146183965
4-[(3-bromoanilino)methyl]benzoic acid
CID 39439101
N-benzyl-4-methylaniline;1-bromo-4-methylbenzene;phenylmethanamine
CID 158372976
3-bromo-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 65491991

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dibromoaniline?
The IUPAC name of N-benzyl-3,5-dibromoaniline (CID 10640949) is N-benzyl-3,5-dibromoaniline.
What is the SMILES notation for N-benzyl-3,5-dibromoaniline?
The canonical SMILES for N-benzyl-3,5-dibromoaniline is Brc1cc(Br)cc(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3,5-dibromoaniline?
The InChIKey is PGEQVBGSPPXHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of N-benzyl-3,5-dibromoaniline?
N-benzyl-3,5-dibromoaniline has a molecular weight of 341.05 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dibromoaniline is sourced from PubChem (CID 10640949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).