N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine

C15H23BrN2O — CID 115211100

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine
SMILESCOc1ccc(Br)cc1CNCCC1CCCCN1
InChIInChI=1S/C15H23BrN2O/c1-19-15-6-5-13(16)10-12(15)11-17-9-7-14-4-2-3-8-18-14/h5-6,10,14,17-18H,2-4,7-9,11H2,1H3
InChIKeyACDMDGFATACHOX-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.08
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine

N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine (PubChem CID 115211100) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine
PubChem CID115211100
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine
SMILESCOc1ccc(Br)cc1CNCCC1CCCCN1
InChIInChI=1S/C15H23BrN2O/c1-19-15-6-5-13(16)10-12(15)11-17-9-7-14-4-2-3-8-18-14/h5-6,10,14,17-18H,2-4,7-9,11H2,1H3
InChIKeyACDMDGFATACHOX-UHFFFAOYSA-N
XLogP3.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine 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

N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210337
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238006
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211094
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 106844843
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605745
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine (CID 115211100) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine is COc1ccc(Br)cc1CNCCC1CCCCN1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine?
The InChIKey is ACDMDGFATACHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-19-15-6-5-13(16)10-12(15)11-17-9-7-14-4-2-3-8-18-14/h5-6,10,14,17-18H,2-4,7-9,11H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine is sourced from PubChem (CID 115211100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).