N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline

C14H13BrFN — CID 43194878

IUPACN-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1ccccc1F)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFN/c1-10(11-5-4-6-12(15)9-11)17-14-8-3-2-7-13(14)16/h2-10,17H,1H3
InChIKeyJKDCTQGDRXWZOJ-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.76
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline

N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline (PubChem CID 43194878) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
PubChem CID43194878
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1ccccc1F)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFN/c1-10(11-5-4-6-12(15)9-11)17-14-8-3-2-7-13(14)16/h2-10,17H,1H3
InChIKeyJKDCTQGDRXWZOJ-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-chloroaniline
CID 43104592
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline
CID 43093498
N-[1-(3-bromophenyl)ethyl]-2,4-difluoro-5-nitroaniline
CID 43725182
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
5-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-fluoroaniline
CID 43555248
2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline (CID 43194878) is N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline is CC(Nc1ccccc1F)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline?
The InChIKey is JKDCTQGDRXWZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-10(11-5-4-6-12(15)9-11)17-14-8-3-2-7-13(14)16/h2-10,17H,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline?
N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline has a molecular weight of 294.17 g/mol, XLogP of 4.76, 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]-2-fluoroaniline is sourced from PubChem (CID 43194878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).