2,5-difluoro-N-(4-phenylcyclohexyl)aniline

C18H19F2N — CID 29275617

IUPAC2,5-difluoro-N-(4-phenylcyclohexyl)aniline
SMILESFc1ccc(F)c(NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C18H19F2N/c19-15-8-11-17(20)18(12-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-5,8,11-12,14,16,21H,6-7,9-10H2
InChIKeyCTZRDWOIQZIFAT-UHFFFAOYSA-N
MW287.35 g/mol
LogP5.10
Rot. Bonds3

About 2,5-difluoro-N-(4-phenylcyclohexyl)aniline

2,5-difluoro-N-(4-phenylcyclohexyl)aniline (PubChem CID 29275617) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(4-phenylcyclohexyl)aniline
PubChem CID29275617
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name2,5-difluoro-N-(4-phenylcyclohexyl)aniline
SMILESFc1ccc(F)c(NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C18H19F2N/c19-15-8-11-17(20)18(12-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-5,8,11-12,14,16,21H,6-7,9-10H2
InChIKeyCTZRDWOIQZIFAT-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-phenylcyclohexyl)aniline?
The IUPAC name of 2,5-difluoro-N-(4-phenylcyclohexyl)aniline (CID 29275617) is 2,5-difluoro-N-(4-phenylcyclohexyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(4-phenylcyclohexyl)aniline?
The canonical SMILES for 2,5-difluoro-N-(4-phenylcyclohexyl)aniline is Fc1ccc(F)c(NC2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 2,5-difluoro-N-(4-phenylcyclohexyl)aniline?
The InChIKey is CTZRDWOIQZIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c19-15-8-11-17(20)18(12-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-5,8,11-12,14,16,21H,6-7,9-10H2.
What are the key properties of 2,5-difluoro-N-(4-phenylcyclohexyl)aniline?
2,5-difluoro-N-(4-phenylcyclohexyl)aniline has a molecular weight of 287.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(4-phenylcyclohexyl)aniline is sourced from PubChem (CID 29275617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).