N-cyclopentyl-4-ethyl-3-fluoroaniline

C13H18FN — CID 118342641

IUPACN-cyclopentyl-4-ethyl-3-fluoroaniline
SMILESCCc1ccc(NC2CCCC2)cc1F
InChIInChI=1S/C13H18FN/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyWRTHESHLBLVOJL-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.74
Rot. Bonds3

About N-cyclopentyl-4-ethyl-3-fluoroaniline

N-cyclopentyl-4-ethyl-3-fluoroaniline (PubChem CID 118342641) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-cyclopentyl-4-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-cyclopentyl-4-ethyl-3-fluoroaniline
PubChem CID118342641
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-cyclopentyl-4-ethyl-3-fluoroaniline
SMILESCCc1ccc(NC2CCCC2)cc1F
InChIInChI=1S/C13H18FN/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyWRTHESHLBLVOJL-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342640
1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine
CID 91151578
1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
CID 70292757
1-N,3-N-dicyclohexyl-4-propylbenzene-1,3-diamine
CID 90852718
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
N-cyclohexyl-3,4,5-trifluoroaniline
CID 62810275
N-cyclohexyl-3-ethylaniline
CID 11009024

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-ethyl-3-fluoroaniline?
The IUPAC name of N-cyclopentyl-4-ethyl-3-fluoroaniline (CID 118342641) is N-cyclopentyl-4-ethyl-3-fluoroaniline.
What is the SMILES notation for N-cyclopentyl-4-ethyl-3-fluoroaniline?
The canonical SMILES for N-cyclopentyl-4-ethyl-3-fluoroaniline is CCc1ccc(NC2CCCC2)cc1F.
What is the InChIKey of N-cyclopentyl-4-ethyl-3-fluoroaniline?
The InChIKey is WRTHESHLBLVOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-2-10-7-8-12(9-13(10)14)15-11-5-3-4-6-11/h7-9,11,15H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-4-ethyl-3-fluoroaniline?
N-cyclopentyl-4-ethyl-3-fluoroaniline has a molecular weight of 207.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-ethyl-3-fluoroaniline is sourced from PubChem (CID 118342641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).