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

C23H30F2N2O2 — CID 10573289

IUPACN-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCCC1(c2ccc(F)cc2)OCCO1)CCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C23H30F2N2O2/c1-26(14-15-27(2)18-19-4-8-21(24)9-5-19)13-3-12-23(28-16-17-29-23)20-6-10-22(25)11-7-20/h4-11H,3,12-18H2,1-2H3
InChIKeyNXNWNPNTWRWKSX-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.01
Rot. Bonds10

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

N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 10573289) has the molecular formula C23H30F2N2O2 and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID10573289
Molecular FormulaC23H30F2N2O2
Molecular Weight404.50 g/mol
Exact Mass404.23
IUPAC NameN-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCCC1(c2ccc(F)cc2)OCCO1)CCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C23H30F2N2O2/c1-26(14-15-27(2)18-19-4-8-21(24)9-5-19)13-3-12-23(28-16-17-29-23)20-6-10-22(25)11-7-20/h4-11H,3,12-18H2,1-2H3
InChIKeyNXNWNPNTWRWKSX-UHFFFAOYSA-N
XLogP4.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 10573289) is N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is CN(CCCC1(c2ccc(F)cc2)OCCO1)CCN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is NXNWNPNTWRWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O2/c1-26(14-15-27(2)18-19-4-8-21(24)9-5-19)13-3-12-23(28-16-17-29-23)20-6-10-22(25)11-7-20/h4-11H,3,12-18H2,1-2H3.
What are the key properties of N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 404.50 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N'-[(4-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10573289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).