N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine

C16H25BrN2O — CID 83009038

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCOc1ccc(C(C)NN2C(C)CCCC2C)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-11-6-5-7-12(2)19(11)18-13(3)14-8-9-16(20-4)15(17)10-14/h8-13,18H,5-7H2,1-4H3
InChIKeyYPUXYWTXFIDFER-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83009038) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83009038
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
SMILESCOc1ccc(C(C)NN2C(C)CCCC2C)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-11-6-5-7-12(2)19(11)18-13(3)14-8-9-16(20-4)15(17)10-14/h8-13,18H,5-7H2,1-4H3
InChIKeyYPUXYWTXFIDFER-UHFFFAOYSA-N
XLogP4.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65079966
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
CID 81393845
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314672
1-(3-bromo-4-methoxyphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115719847
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64761855
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
1-(3-bromo-4-methoxyphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585229
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine (CID 83009038) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine is COc1ccc(C(C)NN2C(C)CCCC2C)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is YPUXYWTXFIDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11-6-5-7-12(2)19(11)18-13(3)14-8-9-16(20-4)15(17)10-14/h8-13,18H,5-7H2,1-4H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 341.29 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83009038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).