cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate

C13H17FN2O2 — CID 112738527

IUPACcyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate
SMILESNCc1c(F)cccc1NC(=O)OC1CCCC1
InChIInChI=1S/C13H17FN2O2/c14-11-6-3-7-12(10(11)8-15)16-13(17)18-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H,16,17)
InChIKeyBVNKEZQMCCBQJK-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.78
Rot. Bonds3

About cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate

cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate (PubChem CID 112738527) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate
PubChem CID112738527
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Namecyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate
SMILESNCc1c(F)cccc1NC(=O)OC1CCCC1
InChIInChI=1S/C13H17FN2O2/c14-11-6-3-7-12(10(11)8-15)16-13(17)18-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H,16,17)
InChIKeyBVNKEZQMCCBQJK-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
CID 112738809
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708
(E)-N-[2-(aminomethyl)-3-fluorophenyl]but-2-enamide
CID 82507552
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-(3-fluoro-2-phenylphenyl)carbamate bromide
CID 69312195
cyclopentyl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate
CID 25030692
(3-aminocyclohexyl) N-(2-methoxyphenyl)carbamate
CID 79465855
cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate
CID 168891045
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
cyclohexyl N-(5-chloro-2-methylphenyl)carbamate
CID 4569721

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate?
The IUPAC name of cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate (CID 112738527) is cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate.
What is the SMILES notation for cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate?
The canonical SMILES for cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate is NCc1c(F)cccc1NC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate?
The InChIKey is BVNKEZQMCCBQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-6-3-7-12(10(11)8-15)16-13(17)18-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H,16,17).
What are the key properties of cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate?
cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate has a molecular weight of 252.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate is sourced from PubChem (CID 112738527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).