N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline

C14H13BrFN — CID 79710755

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H13BrFN/c1-10-4-2-3-5-14(10)17-9-11-6-12(15)8-13(16)7-11/h2-8,17H,9H2,1H3
InChIKeyAYZJOFKKRCAAFM-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.51
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline

N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline (PubChem CID 79710755) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
PubChem CID79710755
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H13BrFN/c1-10-4-2-3-5-14(10)17-9-11-6-12(15)8-13(16)7-11/h2-8,17H,9H2,1H3
InChIKeyAYZJOFKKRCAAFM-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-nitrophenyl)methyl]-2-methylaniline
CID 103350523
N-[(3-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 79710749
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
CID 66472582
4-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-2-chloroaniline
CID 79710392
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
CID 79710160
2-[(3,5-difluorophenyl)methylamino]-6-methylbenzonitrile
CID 107802943
1-N-[(3-bromo-5-fluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378231
N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
CID 114254482
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline
CID 173173608
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline (CID 79710755) is N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline is Cc1ccccc1NCc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline?
The InChIKey is AYZJOFKKRCAAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-10-4-2-3-5-14(10)17-9-11-6-12(15)8-13(16)7-11/h2-8,17H,9H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline?
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline has a molecular weight of 294.17 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 79710755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).