2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline

C12H17FN2 — CID 117047242

IUPAC2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
SMILESNCC1(c2cc(F)ccc2N)CCCC1
InChIInChI=1S/C12H17FN2/c13-9-3-4-11(15)10(7-9)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14-15H2
InChIKeyJIOZRYCTHAODDQ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.18
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline

2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline (PubChem CID 117047242) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
PubChem CID117047242
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
SMILESNCC1(c2cc(F)ccc2N)CCCC1
InChIInChI=1S/C12H17FN2/c13-9-3-4-11(15)10(7-9)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14-15H2
InChIKeyJIOZRYCTHAODDQ-UHFFFAOYSA-N
XLogP2.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
CID 117316027
[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine
CID 117113346
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930
[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine
CID 117338306
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
CID 83412144
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline (CID 117047242) is 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline is NCC1(c2cc(F)ccc2N)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline?
The InChIKey is JIOZRYCTHAODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-9-3-4-11(15)10(7-9)12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14-15H2.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline?
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline has a molecular weight of 208.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline is sourced from PubChem (CID 117047242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).