N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine

C22H23FN2O — CID 23959578

IUPACN'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(F)cc1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H23FN2O/c23-20-11-9-18(10-12-20)16-25(14-13-24)17-19-5-4-8-22(15-19)26-21-6-2-1-3-7-21/h1-12,15H,13-14,16-17,24H2
InChIKeyJKYOTDIUQWWSKX-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.58
Rot. Bonds8

About N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine

N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 23959578) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID23959578
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(F)cc1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H23FN2O/c23-20-11-9-18(10-12-20)16-25(14-13-24)17-19-5-4-8-22(15-19)26-21-6-2-1-3-7-21/h1-12,15H,13-14,16-17,24H2
InChIKeyJKYOTDIUQWWSKX-UHFFFAOYSA-N
XLogP4.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid
CID 23856943
N'-[(3-chlorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine
CID 23907951
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 23967295
[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934561
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
3-[[2-aminoethyl(benzyl)amino]methyl]benzonitrile
CID 106511326
2-[[2-aminoethyl(benzyl)amino]methyl]-5-fluorobenzonitrile
CID 106511586

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine (CID 23959578) is N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine is NCCN(Cc1ccc(F)cc1)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is JKYOTDIUQWWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-20-11-9-18(10-12-20)16-25(14-13-24)17-19-5-4-8-22(15-19)26-21-6-2-1-3-7-21/h1-12,15H,13-14,16-17,24H2.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine?
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 350.44 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 23959578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).