N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C24H28N2O — CID 54805607

IUPACN-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCNc2ccccc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C24H28N2O/c1-18-15-19(2)24(20(3)16-18)26-14-13-25-22-11-7-8-12-23(22)27-17-21-9-5-4-6-10-21/h4-12,15-16,25-26H,13-14,17H2,1-3H3
InChIKeyCYCPIDFPVVNETN-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.71
Rot. Bonds8

About N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 54805607) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID54805607
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCNc2ccccc2OCc2ccccc2)c(C)c1
InChIInChI=1S/C24H28N2O/c1-18-15-19(2)24(20(3)16-18)26-14-13-25-22-11-7-8-12-23(22)27-17-21-9-5-4-6-10-21/h4-12,15-16,25-26H,13-14,17H2,1-3H3
InChIKeyCYCPIDFPVVNETN-UHFFFAOYSA-N
XLogP5.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.71
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-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806037
N-(2-butoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805567
N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54805807
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
N-(2,6-dimethylphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827756
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806372
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796664
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 54805607) is N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(NCCNc2ccccc2OCc2ccccc2)c(C)c1.
What is the InChIKey of N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is CYCPIDFPVVNETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-18-15-19(2)24(20(3)16-18)26-14-13-25-22-11-7-8-12-23(22)27-17-21-9-5-4-6-10-21/h4-12,15-16,25-26H,13-14,17H2,1-3H3.
What are the key properties of N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 360.50 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).