N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine

C20H19FN2O — CID 54805518

IUPACN'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
SMILESFc1ccccc1NCCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H19FN2O/c21-19-8-4-5-9-20(19)23-15-14-22-16-10-12-18(13-11-16)24-17-6-2-1-3-7-17/h1-13,22-23H,14-15H2
InChIKeyOBFHPTRDHZQSQM-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.14
Rot. Bonds7

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

N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine (PubChem CID 54805518) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
PubChem CID54805518
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC NameN'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
SMILESFc1ccccc1NCCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H19FN2O/c21-19-8-4-5-9-20(19)23-15-14-22-16-10-12-18(13-11-16)24-17-6-2-1-3-7-17/h1-13,22-23H,14-15H2
InChIKeyOBFHPTRDHZQSQM-UHFFFAOYSA-N
XLogP5.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.14
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'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54810146
N'-(3-chloro-2-methylphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805636
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
CID 108954775
N-butyl-4-phenoxyaniline
CID 4712110
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770
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

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine (CID 54805518) is N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine is Fc1ccccc1NCCNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine?
The InChIKey is OBFHPTRDHZQSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-19-8-4-5-9-20(19)23-15-14-22-16-10-12-18(13-11-16)24-17-6-2-1-3-7-17/h1-13,22-23H,14-15H2.
What are the key properties of N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine?
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine has a molecular weight of 322.38 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).