N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine

C15H23BrN2O — CID 65326987

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(Br)c(CN(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H23BrN2O/c1-17-8-6-13(7-9-17)18(2)11-12-10-14(19-3)4-5-15(12)16/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyJADCSESMBYRBKJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.98
Rot. Bonds4

About N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 65326987) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID65326987
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(Br)c(CN(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H23BrN2O/c1-17-8-6-13(7-9-17)18(2)11-12-10-14(19-3)4-5-15(12)16/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyJADCSESMBYRBKJ-UHFFFAOYSA-N
XLogP2.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120425
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509
N-[(3-bromo-4-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838335
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82183840
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65326023
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
CID 65326761
N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine
CID 65327043
1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine
CID 171934524
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 65326987) is N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine is COc1ccc(Br)c(CN(C)C2CCN(C)CC2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is JADCSESMBYRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-8-6-13(7-9-17)18(2)11-12-10-14(19-3)4-5-15(12)16/h4-5,10,13H,6-9,11H2,1-3H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 327.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 65326987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).