5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline

C18H15BrFN — CID 43555393

IUPAC5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccc2ccccc2c1
InChIInChI=1S/C18H15BrFN/c1-12(21-18-11-16(19)8-9-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3
InChIKeySFBOOODWBXSWTE-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.91
Rot. Bonds3

About 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline

5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline (PubChem CID 43555393) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
PubChem CID43555393
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC Name5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccc2ccccc2c1
InChIInChI=1S/C18H15BrFN/c1-12(21-18-11-16(19)8-9-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3
InChIKeySFBOOODWBXSWTE-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 81268026
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336
5-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555308
5-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-fluoroaniline
CID 43555248
5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
CID 43555233
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-bromo-2-fluoroaniline
CID 43555373
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
CID 43194878
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43107692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline (CID 43555393) is 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline is CC(Nc1cc(Br)ccc1F)c1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline?
The InChIKey is SFBOOODWBXSWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c1-12(21-18-11-16(19)8-9-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3.
What are the key properties of 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline?
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline has a molecular weight of 344.23 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline is sourced from PubChem (CID 43555393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).