2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine

C16H24BrFN2 — CID 63157455

IUPAC2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H24BrFN2/c1-3-16(2)6-8-20(9-7-16)15(11-19)12-4-5-14(18)13(17)10-12/h4-5,10,15H,3,6-9,11,19H2,1-2H3
InChIKeyCZCDYJCKORIMJV-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine

2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine (PubChem CID 63157455) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
PubChem CID63157455
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C16H24BrFN2/c1-3-16(2)6-8-20(9-7-16)15(11-19)12-4-5-14(18)13(17)10-12/h4-5,10,15H,3,6-9,11,19H2,1-2H3
InChIKeyCZCDYJCKORIMJV-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
2-(3-bromo-4-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420997
2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 106817408
2-(3-bromo-4-fluorophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429971
4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
CID 63157411
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 102839181
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(furan-3-yl)ethanamine
CID 55163205
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115559403
2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 81437156
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine (CID 63157455) is 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine is CCC1(C)CCN(C(CN)c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is CZCDYJCKORIMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-3-16(2)6-8-20(9-7-16)15(11-19)12-4-5-14(18)13(17)10-12/h4-5,10,15H,3,6-9,11,19H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 343.28 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 63157455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).