N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine

C16H25FN2 — CID 43283969

IUPACN-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(N2CCCCC2C)c(F)c1
InChIInChI=1S/C16H25FN2/c1-4-18-13(3)14-8-9-16(15(17)11-14)19-10-6-5-7-12(19)2/h8-9,11-13,18H,4-7,10H2,1-3H3
InChIKeyLIMBJRCNKLAMCJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.88
Rot. Bonds4

About N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine

N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 43283969) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID43283969
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(N2CCCCC2C)c(F)c1
InChIInChI=1S/C16H25FN2/c1-4-18-13(3)14-8-9-16(15(17)11-14)19-10-6-5-7-12(19)2/h8-9,11-13,18H,4-7,10H2,1-3H3
InChIKeyLIMBJRCNKLAMCJ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781778
[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61406406
1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide
CID 43283894
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63533265
1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]-N-ethylethanamine
CID 65281352
1-[4-(1,3-dihydroisoindol-2-yl)-3-fluorophenyl]-N-ethylethanamine
CID 62205579
N-[[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060508
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine (CID 43283969) is N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine is CCNC(C)c1ccc(N2CCCCC2C)c(F)c1.
What is the InChIKey of N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is LIMBJRCNKLAMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-18-13(3)14-8-9-16(15(17)11-14)19-10-6-5-7-12(19)2/h8-9,11-13,18H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine?
N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43283969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).