3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline

C18H19ClFN — CID 107364297

IUPAC3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
SMILESFc1cc(Cl)cc(NC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C18H19ClFN/c19-14-10-15(20)12-16(11-14)21-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18,21H,4-5,8-9H2
InChIKeyAIFPFSASPKFLDG-UHFFFAOYSA-N
MW303.81 g/mol
LogP5.62
Rot. Bonds3

About 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline

3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline (PubChem CID 107364297) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
PubChem CID107364297
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
SMILESFc1cc(Cl)cc(NC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C18H19ClFN/c19-14-10-15(20)12-16(11-14)21-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18,21H,4-5,8-9H2
InChIKeyAIFPFSASPKFLDG-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-(2-phenylcyclohexyl)aniline
CID 43765027
3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
CID 107364123
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43764911
6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine
CID 116813035
3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364163
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
3-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364256
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953
2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline?
The IUPAC name of 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline (CID 107364297) is 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline is Fc1cc(Cl)cc(NC2CCCCC2c2ccccc2)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline?
The InChIKey is AIFPFSASPKFLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-14-10-15(20)12-16(11-14)21-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18,21H,4-5,8-9H2.
What are the key properties of 3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline?
3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline has a molecular weight of 303.81 g/mol, XLogP of 5.62, 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-(2-phenylcyclohexyl)aniline is sourced from PubChem (CID 107364297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).