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

C13H17ClFN — CID 18778546

IUPAC3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CCCCC2)cc1Cl
InChIInChI=1S/C13H17ClFN/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyFLVTWIHKWLEIIP-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.47
Rot. Bonds3

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

3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline (PubChem CID 18778546) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline
PubChem CID18778546
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CCCCC2)cc1Cl
InChIInChI=1S/C13H17ClFN/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyFLVTWIHKWLEIIP-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline?
The IUPAC name of 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline (CID 18778546) is 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline is Fc1ccc(NCC2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline?
The InChIKey is FLVTWIHKWLEIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline?
3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline has a molecular weight of 241.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline is sourced from PubChem (CID 18778546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).