2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

C17H22N2O — CID 79589331

IUPAC2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCc1ccc(COc2cc(N(C)C)ccc2N)cc1
InChIInChI=1S/C17H22N2O/c1-4-13-5-7-14(8-6-13)12-20-17-11-15(19(2)3)9-10-16(17)18/h5-11H,4,12,18H2,1-3H3
InChIKeyFSUIGRPGJHTWBB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.48
Rot. Bonds5

About 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 79589331) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID79589331
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCc1ccc(COc2cc(N(C)C)ccc2N)cc1
InChIInChI=1S/C17H22N2O/c1-4-13-5-7-14(8-6-13)12-20-17-11-15(19(2)3)9-10-16(17)18/h5-11H,4,12,18H2,1-3H3
InChIKeyFSUIGRPGJHTWBB-UHFFFAOYSA-N
XLogP3.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589158
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589078
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79588821
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589077
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79588486
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
2-[[2-amino-5-(dimethylamino)phenoxy]methyl]benzonitrile
CID 79589430

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 79589331) is 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is CCc1ccc(COc2cc(N(C)C)ccc2N)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is FSUIGRPGJHTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-13-5-7-14(8-6-13)12-20-17-11-15(19(2)3)9-10-16(17)18/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 79589331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).