N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine

C20H20N2O — CID 54806748

IUPACN'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
SMILESc1ccc(NCCNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H20N2O/c1-3-7-17(8-4-1)21-15-16-22-18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-14,21-22H,15-16H2
InChIKeyIXRHLAAGDZIUIF-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.00
Rot. Bonds7

About N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine

N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine (PubChem CID 54806748) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
PubChem CID54806748
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
SMILESc1ccc(NCCNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H20N2O/c1-3-7-17(8-4-1)21-15-16-22-18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-14,21-22H,15-16H2
InChIKeyIXRHLAAGDZIUIF-UHFFFAOYSA-N
XLogP5.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805518
N-butyl-4-phenoxyaniline
CID 4712110
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
N-hexyl-4-phenoxyaniline
CID 28876890
N-heptyl-4-phenoxyaniline
CID 43129191
2-(4-phenoxyanilino)ethanesulfonamide
CID 114384719
N-(3-methylbut-3-enyl)-4-phenoxyaniline
CID 114471890
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N'-(3-chloro-2-methylphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805636
N'-hydroxy-3-(4-phenoxyanilino)propanimidamide
CID 77026681

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine?
The IUPAC name of N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine (CID 54806748) is N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine is c1ccc(NCCNc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine?
The InChIKey is IXRHLAAGDZIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-7-17(8-4-1)21-15-16-22-18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-14,21-22H,15-16H2.
What are the key properties of N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine?
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine has a molecular weight of 304.39 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 54806748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).