N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline

C15H15BrFN — CID 43093379

IUPACN-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C15H15BrFN/c1-10-6-7-14(17)9-15(10)18-11(2)12-4-3-5-13(16)8-12/h3-9,11,18H,1-2H3
InChIKeyMNNVUSHUQAETQE-UHFFFAOYSA-N
MW308.19 g/mol
LogP5.07
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline

N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline (PubChem CID 43093379) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
PubChem CID43093379
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C15H15BrFN/c1-10-6-7-14(17)9-15(10)18-11(2)12-4-3-5-13(16)8-12/h3-9,11,18H,1-2H3
InChIKeyMNNVUSHUQAETQE-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.19
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
CID 43194878
5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43081672
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43107692
N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479729
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
N-[1-(3-bromophenyl)ethyl]-2-chloroaniline
CID 43104592
4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
1-(3-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43673266

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline (CID 43093379) is N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline?
The InChIKey is MNNVUSHUQAETQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-6-7-14(17)9-15(10)18-11(2)12-4-3-5-13(16)8-12/h3-9,11,18H,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline?
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline has a molecular weight of 308.19 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 43093379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).