N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline

C14H20FN — CID 142361453

IUPACN-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline
SMILESCCc1ccc(F)c(NCC2CCCC2)c1
InChIInChI=1S/C14H20FN/c1-2-11-7-8-13(15)14(9-11)16-10-12-5-3-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyVFGRTXFDSVVECJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.99
Rot. Bonds4

About N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline

N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline (PubChem CID 142361453) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline
PubChem CID142361453
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline
SMILESCCc1ccc(F)c(NCC2CCCC2)c1
InChIInChI=1S/C14H20FN/c1-2-11-7-8-13(15)14(9-11)16-10-12-5-3-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyVFGRTXFDSVVECJ-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline?
The IUPAC name of N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline (CID 142361453) is N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline.
What is the SMILES notation for N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline?
The canonical SMILES for N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline is CCc1ccc(F)c(NCC2CCCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline?
The InChIKey is VFGRTXFDSVVECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-11-7-8-13(15)14(9-11)16-10-12-5-3-4-6-12/h7-9,12,16H,2-6,10H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline?
N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline has a molecular weight of 221.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline is sourced from PubChem (CID 142361453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).