2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine

C18H29FN2O — CID 83974722

IUPAC2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
SMILESCCOc1ccc(F)cc1C(CN)C1CCN(C(C)C)CC1
InChIInChI=1S/C18H29FN2O/c1-4-22-18-6-5-15(19)11-16(18)17(12-20)14-7-9-21(10-8-14)13(2)3/h5-6,11,13-14,17H,4,7-10,12,20H2,1-3H3
InChIKeyXNWYSEDUPIKJRQ-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.39
Rot. Bonds6

About 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine

2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine (PubChem CID 83974722) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
PubChem CID83974722
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC Name2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
SMILESCCOc1ccc(F)cc1C(CN)C1CCN(C(C)C)CC1
InChIInChI=1S/C18H29FN2O/c1-4-22-18-6-5-15(19)11-16(18)17(12-20)14-7-9-21(10-8-14)13(2)3/h5-6,11,13-14,17H,4,7-10,12,20H2,1-3H3
InChIKeyXNWYSEDUPIKJRQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.39
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-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974680
2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
2-(2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974409
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493
2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974682
2-(5-tert-butyl-2-ethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83974980
2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83972701
[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol
CID 83974412
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83987062

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine (CID 83974722) is 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine is CCOc1ccc(F)cc1C(CN)C1CCN(C(C)C)CC1.
What is the InChIKey of 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The InChIKey is XNWYSEDUPIKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O/c1-4-22-18-6-5-15(19)11-16(18)17(12-20)14-7-9-21(10-8-14)13(2)3/h5-6,11,13-14,17H,4,7-10,12,20H2,1-3H3.
What are the key properties of 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine?
2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine has a molecular weight of 308.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 83974722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).