1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine

C15H23BrN2 — CID 116951753

IUPAC1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
SMILESCNC(CC1CCCNC1)c1cc(Br)ccc1C
InChIInChI=1S/C15H23BrN2/c1-11-5-6-13(16)9-14(11)15(17-2)8-12-4-3-7-18-10-12/h5-6,9,12,15,17-18H,3-4,7-8,10H2,1-2H3
InChIKeyJPULIZPKTXDDHQ-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.41
Rot. Bonds4

About 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine

1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine (PubChem CID 116951753) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
PubChem CID116951753
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
SMILESCNC(CC1CCCNC1)c1cc(Br)ccc1C
InChIInChI=1S/C15H23BrN2/c1-11-5-6-13(16)9-14(11)15(17-2)8-12-4-3-7-18-10-12/h5-6,9,12,15,17-18H,3-4,7-8,10H2,1-2H3
InChIKeyJPULIZPKTXDDHQ-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951610
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116951777
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
2-(5-bromo-2-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209713
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443
1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950521
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine (CID 116951753) is 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine is CNC(CC1CCCNC1)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine?
The InChIKey is JPULIZPKTXDDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11-5-6-13(16)9-14(11)15(17-2)8-12-4-3-7-18-10-12/h5-6,9,12,15,17-18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine?
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116951753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).