[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine

C13H18FN — CID 115025382

IUPAC[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine
SMILESNCc1ccccc1C(F)C1CCCC1
InChIInChI=1S/C13H18FN/c14-13(10-5-1-2-6-10)12-8-4-3-7-11(12)9-15/h3-4,7-8,10,13H,1-2,5-6,9,15H2
InChIKeyHKITXNMLGLBPIB-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.35
Rot. Bonds3

About [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine

[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine (PubChem CID 115025382) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine
PubChem CID115025382
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine
SMILESNCc1ccccc1C(F)C1CCCC1
InChIInChI=1S/C13H18FN/c14-13(10-5-1-2-6-10)12-8-4-3-7-11(12)9-15/h3-4,7-8,10,13H,1-2,5-6,9,15H2
InChIKeyHKITXNMLGLBPIB-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[fluoro(thian-3-yl)methyl]phenyl]methanamine
CID 115043292
[2-(difluoromethyl)phenyl]methanamine
CID 71306246
2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
CID 115042163
[2-[1-(1,1-dioxothian-3-yl)ethyl]phenyl]methanamine
CID 115049800
[2-(aminomethyl)phenyl]-piperidin-3-ylmethanol
CID 115032227
[2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol
CID 115043683
[2-(aminomethyl)phenyl]-(1,1-dioxothian-3-yl)methanol
CID 115050236
[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040399
[2-(1-cyclopentyl-2-fluoroethyl)phenyl]methanol
CID 115033478
(2-propan-2-ylphenyl)methanamine
CID 15040708
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol
CID 115035529

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine?
The IUPAC name of [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine (CID 115025382) is [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine?
The canonical SMILES for [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine is NCc1ccccc1C(F)C1CCCC1.
What is the InChIKey of [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine?
The InChIKey is HKITXNMLGLBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-13(10-5-1-2-6-10)12-8-4-3-7-11(12)9-15/h3-4,7-8,10,13H,1-2,5-6,9,15H2.
What are the key properties of [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine?
[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine has a molecular weight of 207.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopentyl(fluoro)methyl]phenyl]methanamine is sourced from PubChem (CID 115025382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).