N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine

C23H31FN2O2 — CID 10572231

IUPACN'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCCC1(c2ccc(F)cc2)OCCO1)CCN(C)Cc1ccccc1
InChIInChI=1S/C23H31FN2O2/c1-25(15-16-26(2)19-20-7-4-3-5-8-20)14-6-13-23(27-17-18-28-23)21-9-11-22(24)12-10-21/h3-5,7-12H,6,13-19H2,1-2H3
InChIKeyPLWIEPUMMWUGMW-UHFFFAOYSA-N
MW386.51 g/mol
LogP3.87
Rot. Bonds10

About N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine

N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 10572231) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID10572231
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC NameN'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCCC1(c2ccc(F)cc2)OCCO1)CCN(C)Cc1ccccc1
InChIInChI=1S/C23H31FN2O2/c1-25(15-16-26(2)19-20-7-4-3-5-8-20)14-6-13-23(27-17-18-28-23)21-9-11-22(24)12-10-21/h3-5,7-12H,6,13-19H2,1-2H3
InChIKeyPLWIEPUMMWUGMW-UHFFFAOYSA-N
XLogP3.87
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine (CID 10572231) is N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine is CN(CCCC1(c2ccc(F)cc2)OCCO1)CCN(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is PLWIEPUMMWUGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-25(15-16-26(2)19-20-7-4-3-5-8-20)14-6-13-23(27-17-18-28-23)21-9-11-22(24)12-10-21/h3-5,7-12H,6,13-19H2,1-2H3.
What are the key properties of N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine?
N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 386.51 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10572231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).