[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine

C13H18FN — CID 84722438

IUPAC[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
SMILESNCc1cccc(CC2(F)CCCC2)c1
InChIInChI=1S/C13H18FN/c14-13(6-1-2-7-13)9-11-4-3-5-12(8-11)10-15/h3-5,8H,1-2,6-7,9-10,15H2
InChIKeyBTYWOOMMXIXFKI-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.97
Rot. Bonds3

About [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine

[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine (PubChem CID 84722438) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
PubChem CID84722438
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
SMILESNCc1cccc(CC2(F)CCCC2)c1
InChIInChI=1S/C13H18FN/c14-13(6-1-2-7-13)9-11-4-3-5-12(8-11)10-15/h3-5,8H,1-2,6-7,9-10,15H2
InChIKeyBTYWOOMMXIXFKI-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

[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
3-[(1-fluorocyclobutyl)methyl]phenol
CID 84718365
2-[3-[(1-fluorocyclobutyl)methyl]phenyl]acetic acid
CID 84725013
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine
CID 84727157
[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
CID 105478163
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
CID 84722633
[3-(bromomethyl)phenyl]methanamine
CID 67540206
[3-(fluoromethyl)phenyl]methanamine
CID 58789244

Frequently Asked Questions

What is the IUPAC name of [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine (CID 84722438) is [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine is NCc1cccc(CC2(F)CCCC2)c1.
What is the InChIKey of [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine?
The InChIKey is BTYWOOMMXIXFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-13(6-1-2-7-13)9-11-4-3-5-12(8-11)10-15/h3-5,8H,1-2,6-7,9-10,15H2.
What are the key properties of [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine?
[3-[(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 [3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine is sourced from PubChem (CID 84722438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).