1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine

C13H21FN2 — CID 130563731

IUPAC1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
SMILESCC(CN(C)Cc1ccccc1)NCCF
InChIInChI=1S/C13H21FN2/c1-12(15-9-8-14)10-16(2)11-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3
InChIKeyGCNNPAGPCYMRFN-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.07
Rot. Bonds7

About 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine

1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine (PubChem CID 130563731) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
PubChem CID130563731
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
SMILESCC(CN(C)Cc1ccccc1)NCCF
InChIInChI=1S/C13H21FN2/c1-12(15-9-8-14)10-16(2)11-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3
InChIKeyGCNNPAGPCYMRFN-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine
CID 130563719
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 133435889
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine
CID 130863316
1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone
CID 133435868
2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
CID 131897473
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine (CID 130563731) is 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine is CC(CN(C)Cc1ccccc1)NCCF.
What is the InChIKey of 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is GCNNPAGPCYMRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-12(15-9-8-14)10-16(2)11-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine?
1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 130563731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).