4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline

C15H19ClFN — CID 64594863

IUPAC4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
SMILESFc1cc(NC2CCCC(C3CC3)C2)ccc1Cl
InChIInChI=1S/C15H19ClFN/c16-14-7-6-13(9-15(14)17)18-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,18H,1-5,8H2
InChIKeyHYPLUJREVGMRAY-UHFFFAOYSA-N
MW267.77 g/mol
LogP4.86
Rot. Bonds3

About 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline

4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline (PubChem CID 64594863) has the molecular formula C15H19ClFN and a molecular weight of 267.77 g/mol. Its IUPAC name is 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
PubChem CID64594863
Molecular FormulaC15H19ClFN
Molecular Weight267.77 g/mol
Exact Mass267.12
IUPAC Name4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
SMILESFc1cc(NC2CCCC(C3CC3)C2)ccc1Cl
InChIInChI=1S/C15H19ClFN/c16-14-7-6-13(9-15(14)17)18-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,18H,1-5,8H2
InChIKeyHYPLUJREVGMRAY-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline?
The IUPAC name of 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline (CID 64594863) is 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline is Fc1cc(NC2CCCC(C3CC3)C2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline?
The InChIKey is HYPLUJREVGMRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN/c16-14-7-6-13(9-15(14)17)18-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,18H,1-5,8H2.
What are the key properties of 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline?
4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline has a molecular weight of 267.77 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline is sourced from PubChem (CID 64594863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).