[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine

C13H18FN — CID 84722437

IUPAC[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
SMILESNCc1ccc(CC2(F)CCCC2)cc1
InChIInChI=1S/C13H18FN/c14-13(7-1-2-8-13)9-11-3-5-12(10-15)6-4-11/h3-6H,1-2,7-10,15H2
InChIKeyAHSNZBVNBOFKQK-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.97
Rot. Bonds3

About [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine

[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine (PubChem CID 84722437) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
PubChem CID84722437
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
SMILESNCc1ccc(CC2(F)CCCC2)cc1
InChIInChI=1S/C13H18FN/c14-13(7-1-2-8-13)9-11-3-5-12(10-15)6-4-11/h3-6H,1-2,7-10,15H2
InChIKeyAHSNZBVNBOFKQK-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722438
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
CID 105461999
1-bromo-4-[(1-fluorocyclohexyl)methyl]benzene
CID 84730092
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
4-[(1-fluorocyclopentyl)methyl]benzaldehyde
CID 84722284
4-[(1-fluorocyclopropyl)methyl]aniline
CID 84717040
4-[(1-fluorocyclooctyl)methyl]benzoic acid
CID 144590205
2-[4-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
CID 84727142
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
4-[(1-fluorocyclobutyl)methyl]benzoic acid
CID 84722629
4-[(3-fluoropiperidin-3-yl)methyl]phenol
CID 112562864

Frequently Asked Questions

What is the IUPAC name of [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine (CID 84722437) is [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine is NCc1ccc(CC2(F)CCCC2)cc1.
What is the InChIKey of [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine?
The InChIKey is AHSNZBVNBOFKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-13(7-1-2-8-13)9-11-3-5-12(10-15)6-4-11/h3-6H,1-2,7-10,15H2.
What are the key properties of [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine?
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine has a molecular weight of 207.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine is sourced from PubChem (CID 84722437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).