2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine

C14H20BrFN2 — CID 16784586

IUPAC2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H20BrFN2/c1-10-3-2-6-18(9-10)14(8-17)12-7-11(15)4-5-13(12)16/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3
InChIKeyKLMOTMZRFMVEMX-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.32
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine

2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine (PubChem CID 16784586) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
PubChem CID16784586
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H20BrFN2/c1-10-3-2-6-18(9-10)14(8-17)12-7-11(15)4-5-13(12)16/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3
InChIKeyKLMOTMZRFMVEMX-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 43123632
(2S)-2-(5-bromo-3-pyridinyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 124845265
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine (CID 16784586) is 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine is CC1CCCN(C(CN)c2cc(Br)ccc2F)C1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The InChIKey is KLMOTMZRFMVEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-10-3-2-6-18(9-10)14(8-17)12-7-11(15)4-5-13(12)16/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine?
2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine has a molecular weight of 315.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 16784586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).