[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine

C14H21FN2 — CID 115366675

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

About [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine

[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine (PubChem CID 115366675) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
PubChem CID115366675
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
SMILESCCC1CCCCN1c1ccc(CN)c(F)c1
InChIInChI=1S/C14H21FN2/c1-2-12-5-3-4-8-17(12)13-7-6-11(10-16)14(15)9-13/h6-7,9,12H,2-5,8,10,16H2,1H3
InChIKeyCGASDNQZLZTZSS-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

[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol
CID 112747815
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
[3-(2-ethylazepan-1-yl)phenyl]methanamine
CID 102814297
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114066011
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine?
The IUPAC name of [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine (CID 115366675) is [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine?
The canonical SMILES for [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine is CCC1CCCCN1c1ccc(CN)c(F)c1.
What is the InChIKey of [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine?
The InChIKey is CGASDNQZLZTZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-12-5-3-4-8-17(12)13-7-6-11(10-16)14(15)9-13/h6-7,9,12H,2-5,8,10,16H2,1H3.
What are the key properties of [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine?
[4-(2-ethylpiperidin-1-yl)-2-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 [4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 115366675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).