N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine

C23H26N2O — CID 54806037

IUPACN-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccccc2OCc2ccccc2)cc1C
InChIInChI=1S/C23H26N2O/c1-18-12-13-21(16-19(18)2)24-14-15-25-22-10-6-7-11-23(22)26-17-20-8-4-3-5-9-20/h3-13,16,24-25H,14-15,17H2,1-2H3
InChIKeyFFZNGERAGQINJW-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.41
Rot. Bonds8

About N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine

N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine (PubChem CID 54806037) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
PubChem CID54806037
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccccc2OCc2ccccc2)cc1C
InChIInChI=1S/C23H26N2O/c1-18-12-13-21(16-19(18)2)24-14-15-25-22-10-6-7-11-23(22)26-17-20-8-4-3-5-9-20/h3-13,16,24-25H,14-15,17H2,1-2H3
InChIKeyFFZNGERAGQINJW-UHFFFAOYSA-N
XLogP5.41
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.41
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-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805607
N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54805807
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747
N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806372
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine (CID 54806037) is N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine is Cc1ccc(NCCNc2ccccc2OCc2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The InChIKey is FFZNGERAGQINJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-18-12-13-21(16-19(18)2)24-14-15-25-22-10-6-7-11-23(22)26-17-20-8-4-3-5-9-20/h3-13,16,24-25H,14-15,17H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine has a molecular weight of 346.47 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).