N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine

C18H29FN2 — CID 43584613

IUPACN-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1N1CCCC(CC)C1
InChIInChI=1S/C18H29FN2/c1-4-11-20-14(3)18-16(19)9-6-10-17(18)21-12-7-8-15(5-2)13-21/h6,9-10,14-15,20H,4-5,7-8,11-13H2,1-3H3
InChIKeyAGUIOZOCSVSYOI-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.51
Rot. Bonds6

About N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine

N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine (PubChem CID 43584613) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
PubChem CID43584613
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1N1CCCC(CC)C1
InChIInChI=1S/C18H29FN2/c1-4-11-20-14(3)18-16(19)9-6-10-17(18)21-12-7-8-15(5-2)13-21/h6,9-10,14-15,20H,4-5,7-8,11-13H2,1-3H3
InChIKeyAGUIOZOCSVSYOI-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
4-[3-fluoro-2-[1-(propylamino)ethyl]phenyl]morpholine-2-carbonitrile
CID 79670015
N-[1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82956373
[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]methanol
CID 114065244
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]-N-methylethanamine
CID 63150495
1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62199086
(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine
CID 98764853
N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648
N-[1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62751961
1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
CID 113417823
N-[1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 43284028

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine (CID 43584613) is N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1N1CCCC(CC)C1.
What is the InChIKey of N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine?
The InChIKey is AGUIOZOCSVSYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-11-20-14(3)18-16(19)9-6-10-17(18)21-12-7-8-15(5-2)13-21/h6,9-10,14-15,20H,4-5,7-8,11-13H2,1-3H3.
What are the key properties of N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine?
N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43584613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).