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

C14H20BrFN2O — CID 102965132

IUPAC2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H20BrFN2O/c1-19-11-3-2-6-18(9-11)14(8-17)12-7-10(15)4-5-13(12)16/h4-5,7,11,14H,2-3,6,8-9,17H2,1H3
InChIKeyNIUUSCJKCGQCJC-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.70
Rot. Bonds4

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

2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (PubChem CID 102965132) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
PubChem CID102965132
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H20BrFN2O/c1-19-11-3-2-6-18(9-11)14(8-17)12-7-10(15)4-5-13(12)16/h4-5,7,11,14H,2-3,6,8-9,17H2,1H3
InChIKeyNIUUSCJKCGQCJC-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-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-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16784586
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-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965074
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531943
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(4-chlorothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965116

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (CID 102965132) is 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is COC1CCCN(C(CN)c2cc(Br)ccc2F)C1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The InChIKey is NIUUSCJKCGQCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-19-11-3-2-6-18(9-11)14(8-17)12-7-10(15)4-5-13(12)16/h4-5,7,11,14H,2-3,6,8-9,17H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine has a molecular weight of 331.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 102965132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).