2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline

C18H15ClFN — CID 43150506

IUPAC2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H15ClFN/c1-12(21-18-9-8-16(20)11-17(18)19)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3
InChIKeyWFSOFGKHLAGPHA-UHFFFAOYSA-N
MW299.78 g/mol
LogP5.81
Rot. Bonds3

About 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline

2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline (PubChem CID 43150506) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
PubChem CID43150506
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC Name2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C18H15ClFN/c1-12(21-18-9-8-16(20)11-17(18)19)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3
InChIKeyWFSOFGKHLAGPHA-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.78
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43107692
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295
2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 81268026
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
CID 43774024
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline (CID 43150506) is 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline is CC(Nc1ccc(F)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline?
The InChIKey is WFSOFGKHLAGPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c1-12(21-18-9-8-16(20)11-17(18)19)14-7-6-13-4-2-3-5-15(13)10-14/h2-12,21H,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline?
2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline has a molecular weight of 299.78 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline is sourced from PubChem (CID 43150506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).