1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

C14H23BrN4 — CID 83011981

IUPAC1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)NN2CCN(C)CC2)ccc1Br
InChIInChI=1S/C14H23BrN4/c1-11-9-12(3-4-13(11)15)14(10-16)17-19-7-5-18(2)6-8-19/h3-4,9,14,17H,5-8,10,16H2,1-2H3
InChIKeyRNZLXUYJLZAKHV-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.51
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (PubChem CID 83011981) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
PubChem CID83011981
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)NN2CCN(C)CC2)ccc1Br
InChIInChI=1S/C14H23BrN4/c1-11-9-12(3-4-13(11)15)14(10-16)17-19-7-5-18(2)6-8-19/h3-4,9,14,17H,5-8,10,16H2,1-2H3
InChIKeyRNZLXUYJLZAKHV-UHFFFAOYSA-N
XLogP1.51
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83012185
1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011747
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011011
N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83010902
1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83010618
1-(3-fluoro-4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83010716
N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83011013
1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
CID 66475041
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011979
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 83010621

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (CID 83011981) is 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is Cc1cc(C(CN)NN2CCN(C)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The InChIKey is RNZLXUYJLZAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-11-9-12(3-4-13(11)15)14(10-16)17-19-7-5-18(2)6-8-19/h3-4,9,14,17H,5-8,10,16H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine has a molecular weight of 327.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83011981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).