2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline

C14H11Br2F2N — CID 106263661

IUPAC2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Br)c(NCc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C14H11Br2F2N/c1-8-2-3-10(15)13(6-8)19-7-9-12(17)5-4-11(16)14(9)18/h2-6,19H,7H2,1H3
InChIKeyBJEAYIJJVIXYQG-UHFFFAOYSA-N
MW391.05 g/mol
LogP5.41
Rot. Bonds3

About 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline

2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline (PubChem CID 106263661) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
PubChem CID106263661
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Br)c(NCc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C14H11Br2F2N/c1-8-2-3-10(15)13(6-8)19-7-9-12(17)5-4-11(16)14(9)18/h2-6,19H,7H2,1H3
InChIKeyBJEAYIJJVIXYQG-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.05
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 82761852
5-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263798
4-[(2-bromo-5-methylanilino)methyl]-3,5-difluorobenzonitrile
CID 107038807
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263145
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
CID 106263172
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263591
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263151
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 82761517
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
CID 106263110
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline (CID 106263661) is 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline is Cc1ccc(Br)c(NCc2c(F)ccc(Br)c2F)c1.
What is the InChIKey of 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline?
The InChIKey is BJEAYIJJVIXYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c1-8-2-3-10(15)13(6-8)19-7-9-12(17)5-4-11(16)14(9)18/h2-6,19H,7H2,1H3.
What are the key properties of 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline?
2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline has a molecular weight of 391.05 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline is sourced from PubChem (CID 106263661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).