2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

C15H23BrN2O — CID 107390778

IUPAC2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H23BrN2O/c1-15(19-2)8-3-9-18(11-15)14(10-17)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11,17H2,1-2H3
InChIKeyAFHSZVQPVHSDOK-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.95
Rot. Bonds4

About 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (PubChem CID 107390778) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
PubChem CID107390778
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H23BrN2O/c1-15(19-2)8-3-9-18(11-15)14(10-17)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11,17H2,1-2H3
InChIKeyAFHSZVQPVHSDOK-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391351
2-(2-bromo-4-chlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391346
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 107390770
2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390745
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 107391436
2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282
2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
CID 107391309
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416
2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985342
2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine
CID 81144771
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (CID 107390778) is 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is COC1(C)CCCN(C(CN)c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The InChIKey is AFHSZVQPVHSDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-15(19-2)8-3-9-18(11-15)14(10-17)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11,17H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine has a molecular weight of 327.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 107390778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).