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

C23H26N2O2 — CID 54805438

IUPACN-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccccc1NCCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H26N2O2/c1-18(2)26-23-11-7-6-10-22(23)25-17-16-24-19-12-14-21(15-13-19)27-20-8-4-3-5-9-20/h3-15,18,24-25H,16-17H2,1-2H3
InChIKeyNWRMWVUPSPCEJG-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.79
Rot. Bonds9

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

N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54805438) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54805438
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccccc1NCCNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H26N2O2/c1-18(2)26-23-11-7-6-10-22(23)25-17-16-24-19-12-14-21(15-13-19)27-20-8-4-3-5-9-20/h3-15,18,24-25H,16-17H2,1-2H3
InChIKeyNWRMWVUPSPCEJG-UHFFFAOYSA-N
XLogP5.79
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805518
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
N'-(3-chloro-2-methylphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805636
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809939

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54805438) is N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is CC(C)Oc1ccccc1NCCNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is NWRMWVUPSPCEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-18(2)26-23-11-7-6-10-22(23)25-17-16-24-19-12-14-21(15-13-19)27-20-8-4-3-5-9-20/h3-15,18,24-25H,16-17H2,1-2H3.
What are the key properties of N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 362.47 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).