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

C13H16FNO — CID 117316027

IUPAC2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
SMILESNCC1(c2cc(F)ccc2C=O)CCCC1
InChIInChI=1S/C13H16FNO/c14-11-4-3-10(8-16)12(7-11)13(9-15)5-1-2-6-13/h3-4,7-8H,1-2,5-6,9,15H2
InChIKeyUDBCCKFHLXUNQW-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.41
Rot. Bonds3

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

2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde (PubChem CID 117316027) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
PubChem CID117316027
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
SMILESNCC1(c2cc(F)ccc2C=O)CCCC1
InChIInChI=1S/C13H16FNO/c14-11-4-3-10(8-16)12(7-11)13(9-15)5-1-2-6-13/h3-4,7-8H,1-2,5-6,9,15H2
InChIKeyUDBCCKFHLXUNQW-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminocyclohexyl)-4-fluorobenzaldehyde
CID 117315954
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine
CID 117113346
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930
2-[1-(aminomethyl)cyclohexyl]-4-hydroxy-5-methoxybenzaldehyde
CID 117413127
6-[1-(aminomethyl)cyclobutyl]-3,4-dihydro-2H-1,5-benzodioxepine-9-carbaldehyde
CID 117407478
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
[1-(5-fluoro-1-benzofuran-7-yl)cyclopentyl]methanamine
CID 117338306
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde (CID 117316027) is 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde is NCC1(c2cc(F)ccc2C=O)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde?
The InChIKey is UDBCCKFHLXUNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-4-3-10(8-16)12(7-11)13(9-15)5-1-2-6-13/h3-4,7-8H,1-2,5-6,9,15H2.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde?
2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde has a molecular weight of 221.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde is sourced from PubChem (CID 117316027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).