2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

C16H25BrN2 — CID 115210044

IUPAC2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCc1ccc(Br)cc1CCN(C)CC1CCNCC1
InChIInChI=1S/C16H25BrN2/c1-13-3-4-16(17)11-15(13)7-10-19(2)12-14-5-8-18-9-6-14/h3-4,11,14,18H,5-10,12H2,1-2H3
InChIKeyTXYYCNFRUZNJGR-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.23
Rot. Bonds5

About 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 115210044) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID115210044
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCc1ccc(Br)cc1CCN(C)CC1CCNCC1
InChIInChI=1S/C16H25BrN2/c1-13-3-4-16(17)11-15(13)7-10-19(2)12-14-5-8-18-9-6-14/h3-4,11,14,18H,5-10,12H2,1-2H3
InChIKeyTXYYCNFRUZNJGR-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine
CID 116925720
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210481
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210042
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119929603
3-[[(5-bromo-2-methylphenyl)methyl-methylamino]methyl]cyclobutan-1-amine
CID 115214218
4-[2-(5-bromo-2-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218797
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
4-bromo-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]phenol
CID 107739182
N-methyl-N-(piperidin-4-ylmethyl)-2-thiophen-3-ylethanamine
CID 79716858
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (CID 115210044) is 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is Cc1ccc(Br)cc1CCN(C)CC1CCNCC1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is TXYYCNFRUZNJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13-3-4-16(17)11-15(13)7-10-19(2)12-14-5-8-18-9-6-14/h3-4,11,14,18H,5-10,12H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 115210044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).