N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline

C14H12BrF2N — CID 55196577

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NCc2ccc(F)cc2Br)ccc1F
InChIInChI=1S/C14H12BrF2N/c1-9-6-12(4-5-14(9)17)18-8-10-2-3-11(16)7-13(10)15/h2-7,18H,8H2,1H3
InChIKeyIAMYJYCXHPWTCA-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.65
Rot. Bonds3

About N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline

N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline (PubChem CID 55196577) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
PubChem CID55196577
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NCc2ccc(F)cc2Br)ccc1F
InChIInChI=1S/C14H12BrF2N/c1-9-6-12(4-5-14(9)17)18-8-10-2-3-11(16)7-13(10)15/h2-7,18H,8H2,1H3
InChIKeyIAMYJYCXHPWTCA-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

4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
3-bromo-4-[(4-fluoro-3-methylanilino)methyl]benzoic acid
CID 103249428
N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 28884630
6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114059939
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
4-[(4-fluoro-3-methylanilino)methyl]benzene-1,3-diol
CID 55119119
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
N-[(2-bromo-4-fluorophenyl)methyl]-3-methoxyaniline
CID 28585613
N-(bromomethyl)-4-fluoro-3-methylaniline
CID 115261522
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline (CID 55196577) is N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline is Cc1cc(NCc2ccc(F)cc2Br)ccc1F.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline?
The InChIKey is IAMYJYCXHPWTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9-6-12(4-5-14(9)17)18-8-10-2-3-11(16)7-13(10)15/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline?
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-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-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 55196577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).