N-(cyclohexylmethyl)-4-fluoroaniline

C13H18FN — CID 18778542

IUPACN-(cyclohexylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C13H18FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2
InChIKeyVUGNNKWLPQYKAL-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.82
Rot. Bonds3

About N-(cyclohexylmethyl)-4-fluoroaniline

N-(cyclohexylmethyl)-4-fluoroaniline (PubChem CID 18778542) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-fluoroaniline
PubChem CID18778542
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-(cyclohexylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C13H18FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2
InChIKeyVUGNNKWLPQYKAL-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(cyclohexylmethyl)-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-fluoroaniline?
The IUPAC name of N-(cyclohexylmethyl)-4-fluoroaniline (CID 18778542) is N-(cyclohexylmethyl)-4-fluoroaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-fluoroaniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-fluoroaniline is Fc1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-fluoroaniline?
The InChIKey is VUGNNKWLPQYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2.
What are the key properties of N-(cyclohexylmethyl)-4-fluoroaniline?
N-(cyclohexylmethyl)-4-fluoroaniline has a molecular weight of 207.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-fluoroaniline is sourced from PubChem (CID 18778542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).