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

C17H13ClFN — CID 107364306

IUPAC3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
SMILESFc1cc(Cl)cc(NCc2cccc3ccccc23)c1
InChIInChI=1S/C17H13ClFN/c18-14-8-15(19)10-16(9-14)20-11-13-6-3-5-12-4-1-2-7-17(12)13/h1-10,20H,11H2
InChIKeySGUBYRBDUNOTEK-UHFFFAOYSA-N
MW285.75 g/mol
LogP5.24
Rot. Bonds3

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

3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 107364306) has the molecular formula C17H13ClFN and a molecular weight of 285.75 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
PubChem CID107364306
Molecular FormulaC17H13ClFN
Molecular Weight285.75 g/mol
Exact Mass285.07
IUPAC Name3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
SMILESFc1cc(Cl)cc(NCc2cccc3ccccc23)c1
InChIInChI=1S/C17H13ClFN/c18-14-8-15(19)10-16(9-14)20-11-13-6-3-5-12-4-1-2-7-17(12)13/h1-10,20H,11H2
InChIKeySGUBYRBDUNOTEK-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.75
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818353
2-[(3-chloro-5-fluoroanilino)methyl]-6-methylphenol
CID 113351702
3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
CID 107364179
3-chloro-5-fluoro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107363989
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
N-(1,3-benzodioxol-4-ylmethyl)-3-chloro-5-fluoroaniline
CID 103818384
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885
2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
CID 63476657
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoroaniline
CID 107364998
3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
CID 107364114
5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
CID 112703157

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of 3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline (CID 107364306) is 3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline is Fc1cc(Cl)cc(NCc2cccc3ccccc23)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is SGUBYRBDUNOTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN/c18-14-8-15(19)10-16(9-14)20-11-13-6-3-5-12-4-1-2-7-17(12)13/h1-10,20H,11H2.
What are the key properties of 3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline?
3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 285.75 g/mol, XLogP of 5.24, 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-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 107364306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).