N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine

C17H27FN2 — CID 43313933

IUPACN-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
SMILESCCC1CCCCN1c1ccc(F)cc1CNC(C)C
InChIInChI=1S/C17H27FN2/c1-4-16-7-5-6-10-20(16)17-9-8-15(18)11-14(17)12-19-13(2)3/h8-9,11,13,16,19H,4-7,10,12H2,1-3H3
InChIKeyZAMPDOYCRMXJNA-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.09
Rot. Bonds5

About N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine

N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine (PubChem CID 43313933) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
PubChem CID43313933
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
SMILESCCC1CCCCN1c1ccc(F)cc1CNC(C)C
InChIInChI=1S/C17H27FN2/c1-4-16-7-5-6-10-20(16)17-9-8-15(18)11-14(17)12-19-13(2)3/h8-9,11,13,16,19H,4-7,10,12H2,1-3H3
InChIKeyZAMPDOYCRMXJNA-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635482
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63059353
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81248517
N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43584751
[1-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 114853905
[1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63060776

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine (CID 43313933) is N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine is CCC1CCCCN1c1ccc(F)cc1CNC(C)C.
What is the InChIKey of N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The InChIKey is ZAMPDOYCRMXJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-16-7-5-6-10-20(16)17-9-8-15(18)11-14(17)12-19-13(2)3/h8-9,11,13,16,19H,4-7,10,12H2,1-3H3.
What are the key properties of N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 43313933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).