2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline

C12H18FN3 — CID 105263116

IUPAC2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
SMILESNNC(c1cc(F)ccc1N)C1CCCC1
InChIInChI=1S/C12H18FN3/c13-9-5-6-11(14)10(7-9)12(16-15)8-3-1-2-4-8/h5-8,12,16H,1-4,14-15H2
InChIKeyZFITYTSHZNQTAE-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.10
Rot. Bonds3

About 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline

2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline (PubChem CID 105263116) has the molecular formula C12H18FN3 and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
PubChem CID105263116
Molecular FormulaC12H18FN3
Molecular Weight223.30 g/mol
Exact Mass223.15
IUPAC Name2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
SMILESNNC(c1cc(F)ccc1N)C1CCCC1
InChIInChI=1S/C12H18FN3/c13-9-5-6-11(14)10(7-9)12(16-15)8-3-1-2-4-8/h5-8,12,16H,1-4,14-15H2
InChIKeyZFITYTSHZNQTAE-UHFFFAOYSA-N
XLogP2.10
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
CID 107139674
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
CID 105263606
[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257667
[(2,5-difluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210581
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
[(4-chloro-2-fluorophenyl)-cycloheptylmethyl]hydrazine
CID 105217855
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313608
[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302141
[(2-chlorophenyl)-cyclopentylmethyl]hydrazine
CID 91756387
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline?
The IUPAC name of 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline (CID 105263116) is 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline is NNC(c1cc(F)ccc1N)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline?
The InChIKey is ZFITYTSHZNQTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c13-9-5-6-11(14)10(7-9)12(16-15)8-3-1-2-4-8/h5-8,12,16H,1-4,14-15H2.
What are the key properties of 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline?
2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline has a molecular weight of 223.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 105263116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).