N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine

C16H25FN2O — CID 106632404

IUPACN-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(CCOc1ccc(F)cc1)CC1CCCCN1
InChIInChI=1S/C16H25FN2O/c1-2-19(13-15-5-3-4-10-18-15)11-12-20-16-8-6-14(17)7-9-16/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeySKGUVJQBOXAARO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds7

About N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine

N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106632404) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106632404
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(CCOc1ccc(F)cc1)CC1CCCCN1
InChIInChI=1S/C16H25FN2O/c1-2-19(13-15-5-3-4-10-18-15)11-12-20-16-8-6-14(17)7-9-16/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeySKGUVJQBOXAARO-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614892
2-(3-chlorophenoxy)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614950
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106632604
N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519918
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine (CID 106632404) is N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine is CCN(CCOc1ccc(F)cc1)CC1CCCCN1.
What is the InChIKey of N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is SKGUVJQBOXAARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-2-19(13-15-5-3-4-10-18-15)11-12-20-16-8-6-14(17)7-9-16/h6-9,15,18H,2-5,10-13H2,1H3.
What are the key properties of N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine?
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106632404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).