N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline

C15H15ClFN — CID 54796451

IUPACN-[3-(2-chlorophenyl)propyl]-4-fluoroaniline
SMILESFc1ccc(NCCCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClFN/c16-15-6-2-1-4-12(15)5-3-11-18-14-9-7-13(17)8-10-14/h1-2,4,6-10,18H,3,5,11H2
InChIKeyCTBQNRCFWYPFHK-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.52
Rot. Bonds5

About N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline

N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline (PubChem CID 54796451) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-4-fluoroaniline
PubChem CID54796451
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[3-(2-chlorophenyl)propyl]-4-fluoroaniline
SMILESFc1ccc(NCCCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClFN/c16-15-6-2-1-4-12(15)5-3-11-18-14-9-7-13(17)8-10-14/h1-2,4,6-10,18H,3,5,11H2
InChIKeyCTBQNRCFWYPFHK-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline (CID 54796451) is N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline is Fc1ccc(NCCCc2ccccc2Cl)cc1.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline?
The InChIKey is CTBQNRCFWYPFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c16-15-6-2-1-4-12(15)5-3-11-18-14-9-7-13(17)8-10-14/h1-2,4,6-10,18H,3,5,11H2.
What are the key properties of N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline?
N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline has a molecular weight of 263.74 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-4-fluoroaniline is sourced from PubChem (CID 54796451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).