N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline

C14H12BrF2N — CID 81436065

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NCc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H12BrF2N/c1-9-4-11(16)7-12(5-9)18-8-10-2-3-13(15)14(17)6-10/h2-7,18H,8H2,1H3
InChIKeyOEGBVEQUEAMUPA-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.65
Rot. Bonds3

About N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline

N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline (PubChem CID 81436065) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
PubChem CID81436065
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NCc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H12BrF2N/c1-9-4-11(16)7-12(5-9)18-8-10-2-3-13(15)14(17)6-10/h2-7,18H,8H2,1H3
InChIKeyOEGBVEQUEAMUPA-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
CID 110006750
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605
N-[(4-bromo-3-fluorophenyl)methyl]-3-methyl-4-nitroaniline
CID 78982385
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 81431279

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline (CID 81436065) is N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline is Cc1cc(F)cc(NCc2ccc(Br)c(F)c2)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline?
The InChIKey is OEGBVEQUEAMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9-4-11(16)7-12(5-9)18-8-10-2-3-13(15)14(17)6-10/h2-7,18H,8H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline?
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline has a molecular weight of 312.16 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline is sourced from PubChem (CID 81436065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).