N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine

C16H27N3 — CID 115238409

IUPACN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCc1ccc(C)c(CN(C)CC2CNCCN2C)c1
InChIInChI=1S/C16H27N3/c1-13-5-6-14(2)15(9-13)11-18(3)12-16-10-17-7-8-19(16)4/h5-6,9,16-17H,7-8,10-12H2,1-4H3
InChIKeyNXOYJLAEDBYSFM-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.64
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine

N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine (PubChem CID 115238409) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
PubChem CID115238409
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCc1ccc(C)c(CN(C)CC2CNCCN2C)c1
InChIInChI=1S/C16H27N3/c1-13-5-6-14(2)15(9-13)11-18(3)12-16-10-17-7-8-19(16)4/h5-6,9,16-17H,7-8,10-12H2,1-4H3
InChIKeyNXOYJLAEDBYSFM-UHFFFAOYSA-N
XLogP1.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238410
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238418
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
CID 99931195
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2R)-1-methylpiperidin-2-yl]methanamine
CID 99931196
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
CID 116928083
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288
2-bromo-1,6-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84646607
2-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238495
1-methyl-2-[(4-methylphenyl)sulfanylmethyl]piperazine
CID 117034421

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine (CID 115238409) is N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine is Cc1ccc(C)c(CN(C)CC2CNCCN2C)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is NXOYJLAEDBYSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-5-6-14(2)15(9-13)11-18(3)12-16-10-17-7-8-19(16)4/h5-6,9,16-17H,7-8,10-12H2,1-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).