2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine

C17H27FN2O — CID 83987062

IUPAC2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine
SMILESCCCN1CCCCC1C(CN)c1cc(F)ccc1OC
InChIInChI=1S/C17H27FN2O/c1-3-9-20-10-5-4-6-16(20)15(12-19)14-11-13(18)7-8-17(14)21-2/h7-8,11,15-16H,3-6,9-10,12,19H2,1-2H3
InChIKeyPFPNGTRQHTWUAK-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.14
Rot. Bonds6

About 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine

2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine (PubChem CID 83987062) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine
PubChem CID83987062
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine
SMILESCCCN1CCCCC1C(CN)c1cc(F)ccc1OC
InChIInChI=1S/C17H27FN2O/c1-3-9-20-10-5-4-6-16(20)15(12-19)14-11-13(18)7-8-17(14)21-2/h7-8,11,15-16H,3-6,9-10,12,19H2,1-2H3
InChIKeyPFPNGTRQHTWUAK-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974799
2-(5-fluoro-2-methoxyphenyl)-2-(2-methylcyclohexyl)ethanamine
CID 83974794
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
2-(2-methoxyphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986919
2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986396
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
2-(3,4-dimethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986310
tert-butyl 2-[2-amino-1-(2,4-difluorophenyl)ethyl]piperidine-1-carboxylate
CID 83987170
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
CID 83824626
2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83974722
2-(4-methoxy-3-methylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986819

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine (CID 83987062) is 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine is CCCN1CCCCC1C(CN)c1cc(F)ccc1OC.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
The InChIKey is PFPNGTRQHTWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-9-20-10-5-4-6-16(20)15(12-19)14-11-13(18)7-8-17(14)21-2/h7-8,11,15-16H,3-6,9-10,12,19H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine?
2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine has a molecular weight of 294.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 83987062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).