N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline

C28H36N2O2 — CID 142154386

IUPACN-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline
SMILESCOCCNc1ccc(-c2c(C)c(C)c(-c3ccc(NCCOC)cc3)c(C)c2C)cc1
InChIInChI=1S/C28H36N2O2/c1-19-20(2)28(24-9-13-26(14-10-24)30-16-18-32-6)22(4)21(3)27(19)23-7-11-25(12-8-23)29-15-17-31-5/h7-14,29-30H,15-18H2,1-6H3
InChIKeyNRYIBMQHTWVRKI-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.37
Rot. Bonds10

About N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline

N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline (PubChem CID 142154386) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline
PubChem CID142154386
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC NameN-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline
SMILESCOCCNc1ccc(-c2c(C)c(C)c(-c3ccc(NCCOC)cc3)c(C)c2C)cc1
InChIInChI=1S/C28H36N2O2/c1-19-20(2)28(24-9-13-26(14-10-24)30-16-18-32-6)22(4)21(3)27(19)23-7-11-25(12-8-23)29-15-17-31-5/h7-14,29-30H,15-18H2,1-6H3
InChIKeyNRYIBMQHTWVRKI-UHFFFAOYSA-N
XLogP6.37
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.37
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

4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
4-(ethylsulfanylmethyl)-N-(2-methoxyethyl)aniline
CID 83961195
4-N-(2-methoxyethyl)benzene-1,4-diamine;sulfuric acid
CID 71375043
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
4-(2-methoxyethylamino)benzenesulfonohydrazide
CID 174874042
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline
CID 57048374
4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 142398734
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline
CID 115942525

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline?
The IUPAC name of N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline (CID 142154386) is N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline.
What is the SMILES notation for N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline?
The canonical SMILES for N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline is COCCNc1ccc(-c2c(C)c(C)c(-c3ccc(NCCOC)cc3)c(C)c2C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline?
The InChIKey is NRYIBMQHTWVRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-19-20(2)28(24-9-13-26(14-10-24)30-16-18-32-6)22(4)21(3)27(19)23-7-11-25(12-8-23)29-15-17-31-5/h7-14,29-30H,15-18H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline?
N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline has a molecular weight of 432.61 g/mol, XLogP of 6.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline is sourced from PubChem (CID 142154386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).