N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline

C14H12BrClFN — CID 114076385

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NCc1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClFN/c1-9-2-4-12(17)7-14(9)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3
InChIKeyBJHTWJYEHVOMOB-UHFFFAOYSA-N
MW328.61 g/mol
LogP5.16
Rot. Bonds3

About N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline

N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline (PubChem CID 114076385) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
PubChem CID114076385
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NCc1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClFN/c1-9-2-4-12(17)7-14(9)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3
InChIKeyBJHTWJYEHVOMOB-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415
N-[(5-bromo-2-chlorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 103696975
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
CID 103947747
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline (CID 114076385) is N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NCc1cc(Br)ccc1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline?
The InChIKey is BJHTWJYEHVOMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-9-2-4-12(17)7-14(9)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline?
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline has a molecular weight of 328.61 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 114076385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).