[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine

C13H18FNO — CID 107878875

IUPAC[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(COC2CCCC2)ccc1F
InChIInChI=1S/C13H18FNO/c14-13-6-5-10(7-11(13)8-15)9-16-12-3-1-2-4-12/h5-7,12H,1-4,8-9,15H2
InChIKeyZZLCWORKFBIRKC-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.74
Rot. Bonds4

About [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine

[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine (PubChem CID 107878875) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine
PubChem CID107878875
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(COC2CCCC2)ccc1F
InChIInChI=1S/C13H18FNO/c14-13-6-5-10(7-11(13)8-15)9-16-12-3-1-2-4-12/h5-7,12H,1-4,8-9,15H2
InChIKeyZZLCWORKFBIRKC-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine
CID 107881574
[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
CID 107878945
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62141595

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine (CID 107878875) is [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine is NCc1cc(COC2CCCC2)ccc1F.
What is the InChIKey of [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine?
The InChIKey is ZZLCWORKFBIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-13-6-5-10(7-11(13)8-15)9-16-12-3-1-2-4-12/h5-7,12H,1-4,8-9,15H2.
What are the key properties of [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine?
[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).