[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine

C14H21FN2 — CID 43313937

IUPAC[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
SMILESCCC1CCCCN1c1ccc(F)cc1CN
InChIInChI=1S/C14H21FN2/c1-2-13-5-3-4-8-17(13)14-7-6-12(15)9-11(14)10-16/h6-7,9,13H,2-5,8,10,16H2,1H3
InChIKeyKJZMYAYAQPOBCA-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.05
Rot. Bonds3

About [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine

[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine (PubChem CID 43313937) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
PubChem CID43313937
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
SMILESCCC1CCCCN1c1ccc(F)cc1CN
InChIInChI=1S/C14H21FN2/c1-2-13-5-3-4-8-17(13)14-7-6-12(15)9-11(14)10-16/h6-7,9,13H,2-5,8,10,16H2,1H3
InChIKeyKJZMYAYAQPOBCA-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63059353
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 55062001
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine (CID 43313937) is [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine is CCC1CCCCN1c1ccc(F)cc1CN.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine?
The InChIKey is KJZMYAYAQPOBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-13-5-3-4-8-17(13)14-7-6-12(15)9-11(14)10-16/h6-7,9,13H,2-5,8,10,16H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine?
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 43313937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).