1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine

C15H23BrN2O — CID 61215787

IUPAC1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCCOC1CCN(c2cc(Br)ccc2CNC)CC1
InChIInChI=1S/C15H23BrN2O/c1-3-19-14-6-8-18(9-7-14)15-10-13(16)5-4-12(15)11-17-2/h4-5,10,14,17H,3,6-9,11H2,1-2H3
InChIKeyCVEYFUMBZJQTFQ-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine

1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 61215787) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine
PubChem CID61215787
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCCOC1CCN(c2cc(Br)ccc2CNC)CC1
InChIInChI=1S/C15H23BrN2O/c1-3-19-14-6-8-18(9-7-14)15-10-13(16)5-4-12(15)11-17-2/h4-5,10,14,17H,3,6-9,11H2,1-2H3
InChIKeyCVEYFUMBZJQTFQ-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124
N-[[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43373114
1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 63553090
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine
CID 63158654
N-[[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]ethanamine
CID 63972340
1-[4-bromo-2-(methylaminomethyl)phenyl]piperidin-4-ol
CID 114061726
1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
CID 43281090
2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 63782212
4-[5-bromo-2-(methylaminomethyl)phenyl]piperazine-2,6-dione
CID 66085166
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586310
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine (CID 61215787) is 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine is CCOC1CCN(c2cc(Br)ccc2CNC)CC1.
What is the InChIKey of 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is CVEYFUMBZJQTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-19-14-6-8-18(9-7-14)15-10-13(16)5-4-12(15)11-17-2/h4-5,10,14,17H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine?
1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61215787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).