3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline

C18H15ClFN — CID 107364114

IUPAC3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
SMILESCC(Nc1cc(F)cc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C18H15ClFN/c1-12(21-16-10-14(19)9-15(20)11-16)17-8-4-6-13-5-2-3-7-18(13)17/h2-12,21H,1H3
InChIKeyNVOVIGLYNDOTBK-UHFFFAOYSA-N
MW299.78 g/mol
LogP5.81
Rot. Bonds3

About 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline

3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline (PubChem CID 107364114) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
PubChem CID107364114
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC Name3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
SMILESCC(Nc1cc(F)cc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C18H15ClFN/c1-12(21-16-10-14(19)9-15(20)11-16)17-8-4-6-13-5-2-3-7-18(13)17/h2-12,21H,1H3
InChIKeyNVOVIGLYNDOTBK-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

3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 107582351
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
CID 107364306
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
CID 107632024
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107364141
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline?
The IUPAC name of 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline (CID 107364114) is 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline is CC(Nc1cc(F)cc(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline?
The InChIKey is NVOVIGLYNDOTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c1-12(21-16-10-14(19)9-15(20)11-16)17-8-4-6-13-5-2-3-7-18(13)17/h2-12,21H,1H3.
What are the key properties of 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline?
3-chloro-5-fluoro-N-(1-naphthalen-1-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 3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline is sourced from PubChem (CID 107364114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).