N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline

C14H13BrFN — CID 28585998

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccc(F)cc1Br
InChIInChI=1S/C14H13BrFN/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(16)8-13(11)15/h2-8,17H,9H2,1H3
InChIKeyYDEMHVRTDCSIHI-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.51
Rot. Bonds3

About N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline

N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline (PubChem CID 28585998) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
PubChem CID28585998
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccc(F)cc1Br
InChIInChI=1S/C14H13BrFN/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(16)8-13(11)15/h2-8,17H,9H2,1H3
InChIKeyYDEMHVRTDCSIHI-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-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
N-[(2-bromo-4-fluorophenyl)methyl]-2-chloro-3-methylaniline
CID 114251751
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylsulfanylaniline
CID 103610599
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 29040115
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
CID 79710755
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
3-bromo-4-[(4-fluoro-2-methylanilino)methyl]benzoic acid
CID 103236049
4-bromo-2,5-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107609530
2-[(2-bromo-5-fluoroanilino)methyl]-6-methylphenol
CID 107632779
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
2-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 114259117

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline (CID 28585998) is N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline is Cc1ccccc1NCc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline?
The InChIKey is YDEMHVRTDCSIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(16)8-13(11)15/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline?
N-[(2-bromo-4-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-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 28585998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).