N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine

C14H21F2N3 — CID 115238418

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCN(Cc1ccc(F)c(F)c1)CC1CNCCN1C
InChIInChI=1S/C14H21F2N3/c1-18(10-12-8-17-5-6-19(12)2)9-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3
InChIKeyCMYPGYBCEFYLIF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.30
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine

N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine (PubChem CID 115238418) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
PubChem CID115238418
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCN(Cc1ccc(F)c(F)c1)CC1CNCCN1C
InChIInChI=1S/C14H21F2N3/c1-18(10-12-8-17-5-6-19(12)2)9-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3
InChIKeyCMYPGYBCEFYLIF-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.30
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-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238409
3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 82930621
N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine
CID 139528374
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115239656
N-ethyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 83828882
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238453
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238305
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine (CID 115238418) is N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine is CN(Cc1ccc(F)c(F)c1)CC1CNCCN1C.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is CMYPGYBCEFYLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-18(10-12-8-17-5-6-19(12)2)9-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 269.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).