1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine

C16H27N3 — CID 116956897

IUPAC1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCNC(CC1CN(C)CCN1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-5-6-14(9-13(12)2)16(17-3)10-15-11-19(4)8-7-18-15/h5-6,9,15-18H,7-8,10-11H2,1-4H3
InChIKeyYFWFIEXIWOMBFN-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.86
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine

1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine (PubChem CID 116956897) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
PubChem CID116956897
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCNC(CC1CN(C)CCN1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-5-6-14(9-13(12)2)16(17-3)10-15-11-19(4)8-7-18-15/h5-6,9,15-18H,7-8,10-11H2,1-4H3
InChIKeyYFWFIEXIWOMBFN-UHFFFAOYSA-N
XLogP1.86
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956912
(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941348
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951656
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716
1-(3,4-dimethylphenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956830
N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238706
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
3-[(4-fluoro-2-methylphenyl)sulfanylmethyl]-1-methylpiperazine
CID 117034403
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
1-cyclohexyl-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956926
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine (CID 116956897) is 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine is CNC(CC1CN(C)CCN1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine?
The InChIKey is YFWFIEXIWOMBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-5-6-14(9-13(12)2)16(17-3)10-15-11-19(4)8-7-18-15/h5-6,9,15-18H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine?
1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 116956897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).