N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

C25H29FN2 — CID 70827345

IUPACN'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN(C)C)Cc2ccccc2-c2ccccc2F)c1
InChIInChI=1S/C25H29FN2/c1-20-9-8-10-21(17-20)18-28(16-15-27(2)3)19-22-11-4-5-12-23(22)24-13-6-7-14-25(24)26/h4-14,17H,15-16,18-19H2,1-3H3
InChIKeyBJPRFDFPZNDQED-UHFFFAOYSA-N
MW376.52 g/mol
LogP5.36
Rot. Bonds8

About N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 70827345) has the molecular formula C25H29FN2 and a molecular weight of 376.52 g/mol. Its IUPAC name is N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID70827345
Molecular FormulaC25H29FN2
Molecular Weight376.52 g/mol
Exact Mass376.23
IUPAC NameN'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN(C)C)Cc2ccccc2-c2ccccc2F)c1
InChIInChI=1S/C25H29FN2/c1-20-9-8-10-21(17-20)18-28(16-15-27(2)3)19-22-11-4-5-12-23(22)24-13-6-7-14-25(24)26/h4-14,17H,15-16,18-19H2,1-3H3
InChIKeyBJPRFDFPZNDQED-UHFFFAOYSA-N
XLogP5.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 70827345) is N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(CCN(C)C)Cc2ccccc2-c2ccccc2F)c1.
What is the InChIKey of N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is BJPRFDFPZNDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2/c1-20-9-8-10-21(17-20)18-28(16-15-27(2)3)19-22-11-4-5-12-23(22)24-13-6-7-14-25(24)26/h4-14,17H,15-16,18-19H2,1-3H3.
What are the key properties of N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 376.52 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 70827345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).