N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine

C26H31FN2 — CID 70827096

IUPACN'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCCc1cccc(CN(CCN(C)C)Cc2ccccc2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H31FN2/c1-4-21-8-7-9-22(18-21)19-29(17-16-28(2)3)20-24-10-5-6-11-26(24)23-12-14-25(27)15-13-23/h5-15,18H,4,16-17,19-20H2,1-3H3
InChIKeyFFDWMLNGFIMDPP-UHFFFAOYSA-N
MW390.55 g/mol
LogP5.62
Rot. Bonds9

About N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine

N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 70827096) has the molecular formula C26H31FN2 and a molecular weight of 390.55 g/mol. Its IUPAC name is N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID70827096
Molecular FormulaC26H31FN2
Molecular Weight390.55 g/mol
Exact Mass390.25
IUPAC NameN'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCCc1cccc(CN(CCN(C)C)Cc2ccccc2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H31FN2/c1-4-21-8-7-9-22(18-21)19-29(17-16-28(2)3)20-24-10-5-6-11-26(24)23-12-14-25(27)15-13-23/h5-15,18H,4,16-17,19-20H2,1-3H3
InChIKeyFFDWMLNGFIMDPP-UHFFFAOYSA-N
XLogP5.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine (CID 70827096) is N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine is CCc1cccc(CN(CCN(C)C)Cc2ccccc2-c2ccc(F)cc2)c1.
What is the InChIKey of N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is FFDWMLNGFIMDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2/c1-4-21-8-7-9-22(18-21)19-29(17-16-28(2)3)20-24-10-5-6-11-26(24)23-12-14-25(27)15-13-23/h5-15,18H,4,16-17,19-20H2,1-3H3.
What are the key properties of N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 390.55 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethylphenyl)methyl]-N'-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 70827096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).