1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

C15H23BrClFN2O — CID 120966166

IUPAC1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(CCOc2cc(F)cc(Br)c2)CC1.Cl
InChIInChI=1S/C15H22BrFN2O.ClH/c1-18-11-12-2-4-19(5-3-12)6-7-20-15-9-13(16)8-14(17)10-15;/h8-10,12,18H,2-7,11H2,1H3;1H
InChIKeyDBOXAHDHVGYOLJ-UHFFFAOYSA-N
MW381.72 g/mol
LogP3.32
Rot. Bonds6

About 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120966166) has the molecular formula C15H23BrClFN2O and a molecular weight of 381.72 g/mol. Its IUPAC name is 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID120966166
Molecular FormulaC15H23BrClFN2O
Molecular Weight381.72 g/mol
Exact Mass380.07
IUPAC Name1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(CCOc2cc(F)cc(Br)c2)CC1.Cl
InChIInChI=1S/C15H22BrFN2O.ClH/c1-18-11-12-2-4-19(5-3-12)6-7-20-15-9-13(16)8-14(17)10-15;/h8-10,12,18H,2-7,11H2,1H3;1H
InChIKeyDBOXAHDHVGYOLJ-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride 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

1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120966208
[1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120966074
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine
CID 120966058
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 119039460
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperazine
CID 120966241
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
2-[2-(3-bromo-5-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120966845
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 120966169
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 120966166) is 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(CCOc2cc(F)cc(Br)c2)CC1.Cl.
What is the InChIKey of 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is DBOXAHDHVGYOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O.ClH/c1-18-11-12-2-4-19(5-3-12)6-7-20-15-9-13(16)8-14(17)10-15;/h8-10,12,18H,2-7,11H2,1H3;1H.
What are the key properties of 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 381.72 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120966166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).