N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine

C23H25FN2 — CID 23967295

IUPACN'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(F)cc1)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25FN2/c24-22-13-11-19(12-14-22)17-26(16-15-25)18-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18,25H2
InChIKeyNPKABRRBUMVMCK-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.42
Rot. Bonds8

About N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine

N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 23967295) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
PubChem CID23967295
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC NameN'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(F)cc1)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25FN2/c24-22-13-11-19(12-14-22)17-26(16-15-25)18-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18,25H2
InChIKeyNPKABRRBUMVMCK-UHFFFAOYSA-N
XLogP4.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 107494442
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
CID 23826295
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N'-[(4-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494703
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
CID 23959578
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
N'-(2-fluorophenyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 28771458
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine (CID 23967295) is N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine is NCCN(Cc1ccc(F)cc1)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is NPKABRRBUMVMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2/c24-22-13-11-19(12-14-22)17-26(16-15-25)18-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18,25H2.
What are the key properties of N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 348.47 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 23967295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).