2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline

C15H14BrF2NO — CID 115524054

IUPAC2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
SMILESCOc1ccc(Br)c(NCc2ccc(C(F)F)cc2)c1
InChIInChI=1S/C15H14BrF2NO/c1-20-12-6-7-13(16)14(8-12)19-9-10-2-4-11(5-3-10)15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyJZFUCMJJWWVQFR-UHFFFAOYSA-N
MW342.18 g/mol
LogP5.01
Rot. Bonds5

About 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline

2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline (PubChem CID 115524054) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
PubChem CID115524054
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
SMILESCOc1ccc(Br)c(NCc2ccc(C(F)F)cc2)c1
InChIInChI=1S/C15H14BrF2NO/c1-20-12-6-7-13(16)14(8-12)19-9-10-2-4-11(5-3-10)15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyJZFUCMJJWWVQFR-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.18
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
CID 107632927
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
2-bromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 79984094
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine
CID 133474811
2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501353
4-[(2-bromo-5-methoxyanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103252633
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline?
The IUPAC name of 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline (CID 115524054) is 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline.
What is the SMILES notation for 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline?
The canonical SMILES for 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline is COc1ccc(Br)c(NCc2ccc(C(F)F)cc2)c1.
What is the InChIKey of 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline?
The InChIKey is JZFUCMJJWWVQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-20-12-6-7-13(16)14(8-12)19-9-10-2-4-11(5-3-10)15(17)18/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline?
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline has a molecular weight of 342.18 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline is sourced from PubChem (CID 115524054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).