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

C22H24N2O2 — CID 54805807

IUPACN-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NCCNc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-20-13-11-19(12-14-20)23-15-16-24-21-9-5-6-10-22(21)26-17-18-7-3-2-4-8-18/h2-14,23-24H,15-17H2,1H3
InChIKeyOCUNQXYTWCLUQK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.80
Rot. Bonds9

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

N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine (PubChem CID 54805807) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
PubChem CID54805807
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NCCNc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-20-13-11-19(12-14-20)23-15-16-24-21-9-5-6-10-22(21)26-17-18-7-3-2-4-8-18/h2-14,23-24H,15-17H2,1H3
InChIKeyOCUNQXYTWCLUQK-UHFFFAOYSA-N
XLogP4.80
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806037
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805607
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806372
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
2-(4-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4005340
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine (CID 54805807) is N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine is COc1ccc(NCCNc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The InChIKey is OCUNQXYTWCLUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-25-20-13-11-19(12-14-20)23-15-16-24-21-9-5-6-10-22(21)26-17-18-7-3-2-4-8-18/h2-14,23-24H,15-17H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).