2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

C16H25BrN2O — CID 106586275

IUPAC2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(C(CN)c2ccc(C)c(Br)c2)C1
InChIInChI=1S/C16H25BrN2O/c1-12-5-6-14(8-15(12)17)16(9-18)19-7-3-4-13(10-19)11-20-2/h5-6,8,13,16H,3-4,7,9-11,18H2,1-2H3
InChIKeyIFRKJFKRXXZVNV-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.12
Rot. Bonds5

About 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 106586275) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID106586275
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(C(CN)c2ccc(C)c(Br)c2)C1
InChIInChI=1S/C16H25BrN2O/c1-12-5-6-14(8-15(12)17)16(9-18)19-7-3-4-13(10-19)11-20-2/h5-6,8,13,16H,3-4,7,9-11,18H2,1-2H3
InChIKeyIFRKJFKRXXZVNV-UHFFFAOYSA-N
XLogP3.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 61036698
2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586432
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 105405193
2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64568698
2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973443
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (CID 106586275) is 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCCN(C(CN)c2ccc(C)c(Br)c2)C1.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is IFRKJFKRXXZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12-5-6-14(8-15(12)17)16(9-18)19-7-3-4-13(10-19)11-20-2/h5-6,8,13,16H,3-4,7,9-11,18H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 106586275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).