N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline

C15H15BrFN — CID 43242955

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFN/c1-10-3-4-11(2)15(7-10)18-9-12-5-6-13(16)8-14(12)17/h3-8,18H,9H2,1-2H3
InChIKeyDNQZEOQRWIQDLC-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.82
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline

N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline (PubChem CID 43242955) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
PubChem CID43242955
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFN/c1-10-3-4-11(2)15(7-10)18-9-12-5-6-13(16)8-14(12)17/h3-8,18H,9H2,1-2H3
InChIKeyDNQZEOQRWIQDLC-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43432267
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 43765856
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126140521
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
4-[(5-bromo-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952954
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
CID 103947747
N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-2,5-dimethylaniline
CID 60781442
3-[(5-bromo-2-methylanilino)methyl]-4-fluorobenzonitrile
CID 43806136

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline (CID 43242955) is N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2ccc(Br)cc2F)c1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline?
The InChIKey is DNQZEOQRWIQDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-3-4-11(2)15(7-10)18-9-12-5-6-13(16)8-14(12)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline has a molecular weight of 308.19 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-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 43242955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).