2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline

C19H22FN — CID 28892104

IUPAC2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline
SMILESCc1ccc(NC2CCC(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H22FN/c1-14-7-12-19(18(20)13-14)21-17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-7,12-13,16-17,21H,8-11H2,1H3
InChIKeyJLXLIANGRFMHAI-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.27
Rot. Bonds3

About 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline

2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline (PubChem CID 28892104) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline
PubChem CID28892104
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline
SMILESCc1ccc(NC2CCC(c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H22FN/c1-14-7-12-19(18(20)13-14)21-17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-7,12-13,16-17,21H,8-11H2,1H3
InChIKeyJLXLIANGRFMHAI-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline?
The IUPAC name of 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline (CID 28892104) is 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline is Cc1ccc(NC2CCC(c3ccccc3)CC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline?
The InChIKey is JLXLIANGRFMHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-14-7-12-19(18(20)13-14)21-17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-7,12-13,16-17,21H,8-11H2,1H3.
What are the key properties of 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline?
2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline has a molecular weight of 283.39 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(4-phenylcyclohexyl)aniline is sourced from PubChem (CID 28892104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).