N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine

C14H21BrClN3 — CID 83230304

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H21BrClN3/c1-18(8-9-19-6-4-17-5-7-19)11-12-2-3-14(16)13(15)10-12/h2-3,10,17H,4-9,11H2,1H3
InChIKeyYQCPFWCVYCHAEW-UHFFFAOYSA-N
MW346.70 g/mol
LogP2.44
Rot. Bonds5

About N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine

N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 83230304) has the molecular formula C14H21BrClN3 and a molecular weight of 346.70 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
PubChem CID83230304
Molecular FormulaC14H21BrClN3
Molecular Weight346.70 g/mol
Exact Mass345.06
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H21BrClN3/c1-18(8-9-19-6-4-17-5-7-19)11-12-2-3-14(16)13(15)10-12/h2-3,10,17H,4-9,11H2,1H3
InChIKeyYQCPFWCVYCHAEW-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-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol
CID 115903791
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267446
2-methoxy-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 106792764
2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230425
N-[(4-chloro-3-nitrophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207497
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266412
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine (CID 83230304) is N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine is CN(CCN1CCNCC1)Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is YQCPFWCVYCHAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3/c1-18(8-9-19-6-4-17-5-7-19)11-12-2-3-14(16)13(15)10-12/h2-3,10,17H,4-9,11H2,1H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
N-[(3-bromo-4-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-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 83230304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).