1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine

C14H20BrFN2O — CID 120966208

IUPAC1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCOc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H20BrFN2O/c1-17-13-2-4-18(5-3-13)6-7-19-14-9-11(15)8-12(16)10-14/h8-10,13,17H,2-7H2,1H3
InChIKeyHEJWUYHROUQSAC-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine

1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine (PubChem CID 120966208) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
PubChem CID120966208
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCOc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H20BrFN2O/c1-17-13-2-4-18(5-3-13)6-7-19-14-9-11(15)8-12(16)10-14/h8-10,13,17H,2-7H2,1H3
InChIKeyHEJWUYHROUQSAC-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966166
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine
CID 120966058
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 119039460
[1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120966074
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperazine
CID 120966241
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
2-[2-(3-bromo-5-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120966845
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidine-2,5-dione
CID 99824963
5-bromo-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]pyrimidin-2-amine
CID 71857684
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine (CID 120966208) is 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine is CNC1CCN(CCOc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is HEJWUYHROUQSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-17-13-2-4-18(5-3-13)6-7-19-14-9-11(15)8-12(16)10-14/h8-10,13,17H,2-7H2,1H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine?
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 331.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 120966208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).