N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline

C14H13BrFN — CID 76852078

IUPACN-[2-(3-bromophenyl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCc2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrFN/c15-12-3-1-2-11(10-12)8-9-17-14-6-4-13(16)5-7-14/h1-7,10,17H,8-9H2
InChIKeyQLCDIYIZABWJJA-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.24
Rot. Bonds4

About N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline

N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline (PubChem CID 76852078) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-4-fluoroaniline
PubChem CID76852078
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC NameN-[2-(3-bromophenyl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCc2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrFN/c15-12-3-1-2-11(10-12)8-9-17-14-6-4-13(16)5-7-14/h1-7,10,17H,8-9H2
InChIKeyQLCDIYIZABWJJA-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
CID 90944409
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N-(bromomethyl)-2-(3-bromophenyl)ethanamine
CID 115262293
4-bromo-N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 65483223
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
CID 108901812
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline (CID 76852078) is N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline is Fc1ccc(NCCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline?
The InChIKey is QLCDIYIZABWJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c15-12-3-1-2-11(10-12)8-9-17-14-6-4-13(16)5-7-14/h1-7,10,17H,8-9H2.
What are the key properties of N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline?
N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline has a molecular weight of 294.17 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 76852078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).