N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine

C14H21BrClN3 — CID 66158239

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C14H21BrClN3/c1-18(8-9-19-6-4-17-5-7-19)11-12-10-13(16)2-3-14(12)15/h2-3,10,17H,4-9,11H2,1H3
InChIKeyUOEOSCNKRQWNEC-UHFFFAOYSA-N
MW346.70 g/mol
LogP2.44
Rot. Bonds5

About N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine

N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 66158239) has the molecular formula C14H21BrClN3 and a molecular weight of 346.70 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
PubChem CID66158239
Molecular FormulaC14H21BrClN3
Molecular Weight346.70 g/mol
Exact Mass345.06
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C14H21BrClN3/c1-18(8-9-19-6-4-17-5-7-19)11-12-10-13(16)2-3-14(12)15/h2-3,10,17H,4-9,11H2,1H3
InChIKeyUOEOSCNKRQWNEC-UHFFFAOYSA-N
XLogP2.44
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide
CID 63265639
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
3-fluoro-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 63265350
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266412
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835
1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230425

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine (CID 66158239) is N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine is CN(CCN1CCNCC1)Cc1cc(Cl)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is UOEOSCNKRQWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3/c1-18(8-9-19-6-4-17-5-7-19)11-12-10-13(16)2-3-14(12)15/h2-3,10,17H,4-9,11H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 346.70 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 66158239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).