N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine

C15H23BrN2O — CID 83021328

IUPACN-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCCOc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-12-5-3-6-13(2)18(12)17-9-10-19-15-8-4-7-14(16)11-15/h4,7-8,11-13,17H,3,5-6,9-10H2,1-2H3
InChIKeyQHLQIAWLXOCWFW-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine

N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83021328) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83021328
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCCOc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-12-5-3-6-13(2)18(12)17-9-10-19-15-8-4-7-14(16)11-15/h4,7-8,11-13,17H,3,5-6,9-10H2,1-2H3
InChIKeyQHLQIAWLXOCWFW-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2,6-dimethylpiperidin-1-yl)amino]ethoxy]benzoic acid
CID 103261089
N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021772
N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine
CID 64742220
2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
CID 83006521
N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179259
N-[2-(3-bromophenoxy)ethyl]pyrrol-1-amine
CID 79101261
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
N-[2-(3-bromophenoxy)ethyl]morpholin-4-amine
CID 83021921
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241
2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
N-[2-(3-bromophenoxy)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55142004
3-[2-(3-bromophenoxy)ethylamino]piperidin-2-one
CID 55033106

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine (CID 83021328) is N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NCCOc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is QHLQIAWLXOCWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12-5-3-6-13(2)18(12)17-9-10-19-15-8-4-7-14(16)11-15/h4,7-8,11-13,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine?
N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 327.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83021328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).