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

C14H12BrF2NO — CID 105403175

IUPAC2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
SMILESCOc1ccc(Br)c(NCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H12BrF2NO/c1-19-12-2-3-13(15)14(7-12)18-8-9-4-10(16)6-11(17)5-9/h2-7,18H,8H2,1H3
InChIKeyHXGAPDQMWZAFRJ-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.35
Rot. Bonds4

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

2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline (PubChem CID 105403175) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
PubChem CID105403175
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
SMILESCOc1ccc(Br)c(NCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H12BrF2NO/c1-19-12-2-3-13(15)14(7-12)18-8-9-4-10(16)6-11(17)5-9/h2-7,18H,8H2,1H3
InChIKeyHXGAPDQMWZAFRJ-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
CID 115524054
2-bromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 79984094
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
2-bromo-5-fluoro-N-[(3-methoxy-5-nitrophenyl)methyl]aniline
CID 107635886
4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 105403343
2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501353
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
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
CID 77069981
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline?
The IUPAC name of 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline (CID 105403175) is 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline.
What is the SMILES notation for 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline?
The canonical SMILES for 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline is COc1ccc(Br)c(NCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline?
The InChIKey is HXGAPDQMWZAFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-19-12-2-3-13(15)14(7-12)18-8-9-4-10(16)6-11(17)5-9/h2-7,18H,8H2,1H3.
What are the key properties of 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline?
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline has a molecular weight of 328.16 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline is sourced from PubChem (CID 105403175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).