1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine

C13H20BrN3 — CID 116956697

IUPAC1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
SMILESCNC(c1ccc(Br)cc1)C1CN(C)CCN1
InChIInChI=1S/C13H20BrN3/c1-15-13(10-3-5-11(14)6-4-10)12-9-17(2)8-7-16-12/h3-6,12-13,15-16H,7-9H2,1-2H3
InChIKeyTVGSNHATPLHOFL-UHFFFAOYSA-N
MW298.23 g/mol
LogP1.61
Rot. Bonds3

About 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine

1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine (PubChem CID 116956697) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
PubChem CID116956697
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
SMILESCNC(c1ccc(Br)cc1)C1CN(C)CCN1
InChIInChI=1S/C13H20BrN3/c1-15-13(10-3-5-11(14)6-4-10)12-9-17(2)8-7-16-12/h3-6,12-13,15-16H,7-9H2,1-2H3
InChIKeyTVGSNHATPLHOFL-UHFFFAOYSA-N
XLogP1.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylpiperazin-2-yl)-1-pyridin-4-ylmethanamine
CID 116956735
N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 116956720
(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941348
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956912
(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941438
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954778
N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950906
1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956897

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine (CID 116956697) is 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine is CNC(c1ccc(Br)cc1)C1CN(C)CCN1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is TVGSNHATPLHOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-15-13(10-3-5-11(14)6-4-10)12-9-17(2)8-7-16-12/h3-6,12-13,15-16H,7-9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 298.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-1-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116956697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).