N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine

C17H27BrN2O — CID 115961189

IUPACN-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cc(C)c1OCCN1CCCCC1
InChIInChI=1S/C17H27BrN2O/c1-3-19-13-15-12-16(18)11-14(2)17(15)21-10-9-20-7-5-4-6-8-20/h11-12,19H,3-10,13H2,1-2H3
InChIKeyRCZUKSMLFXQZSY-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.73
Rot. Bonds7

About N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine

N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 115961189) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
PubChem CID115961189
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cc(C)c1OCCN1CCCCC1
InChIInChI=1S/C17H27BrN2O/c1-3-19-13-15-12-16(18)11-14(2)17(15)21-10-9-20-7-5-4-6-8-20/h11-12,19H,3-10,13H2,1-2H3
InChIKeyRCZUKSMLFXQZSY-UHFFFAOYSA-N
XLogP3.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 60883674
N-[[5-bromo-3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 115961191
5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 115962106
N-[[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 115961275
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-methylphenyl]methyl]ethanamine
CID 103032918
N-[[5-bromo-2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]methyl]ethanamine
CID 103177966
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]butan-2-ol
CID 112620164
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-2-methylbutan-2-ol
CID 114492362
N-[[3-bromo-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494105
2-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-N-propan-2-ylacetamide
CID 115961183
N-[[5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]ethanamine
CID 112620249
N-[[5-bromo-2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961197

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine (CID 115961189) is N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Br)cc(C)c1OCCN1CCCCC1.
What is the InChIKey of N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is RCZUKSMLFXQZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-3-19-13-15-12-16(18)11-14(2)17(15)21-10-9-20-7-5-4-6-8-20/h11-12,19H,3-10,13H2,1-2H3.
What are the key properties of N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine?
N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 355.32 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 115961189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).