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

C14H20BrFN2 — CID 81436946

IUPAC2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H20BrFN2/c1-10-4-6-18(7-5-10)14(9-17)11-2-3-12(15)13(16)8-11/h2-3,8,10,14H,4-7,9,17H2,1H3
InChIKeyRQYIQHONQRARNI-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.32
Rot. Bonds3

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

2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 81436946) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID81436946
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H20BrFN2/c1-10-4-6-18(7-5-10)14(9-17)11-2-3-12(15)13(16)8-11/h2-3,8,10,14H,4-7,9,17H2,1H3
InChIKeyRQYIQHONQRARNI-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

Analyze 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 81437156
2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 81437164
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-bromo-4-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420997
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974
2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052417

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 81436946) is 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(C(CN)c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is RQYIQHONQRARNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-10-4-6-18(7-5-10)14(9-17)11-2-3-12(15)13(16)8-11/h2-3,8,10,14H,4-7,9,17H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
2-(4-bromo-3-fluorophenyl)-2-(4-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-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 81436946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).