3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline

C24H27N3O — CID 91547953

IUPAC3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline
SMILES[H]/N=N/C(c1ccccc1)c1ccc(COc2cccc(N(CC)CC)c2)cc1
InChIInChI=1S/C24H27N3O/c1-3-27(4-2)22-11-8-12-23(17-22)28-18-19-13-15-21(16-14-19)24(26-25)20-9-6-5-7-10-20/h5-17,24-25H,3-4,18H2,1-2H3/b26-25+
InChIKeyMHPNQNVDXJUNGX-OCEACIFDSA-N
MW373.50 g/mol
LogP6.23
Rot. Bonds9

About 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline

3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline (PubChem CID 91547953) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline.

Molecular Properties

Compound Name3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline
PubChem CID91547953
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline
SMILES[H]/N=N/C(c1ccccc1)c1ccc(COc2cccc(N(CC)CC)c2)cc1
InChIInChI=1S/C24H27N3O/c1-3-27(4-2)22-11-8-12-23(17-22)28-18-19-13-15-21(16-14-19)24(26-25)20-9-6-5-7-10-20/h5-17,24-25H,3-4,18H2,1-2H3/b26-25+
InChIKeyMHPNQNVDXJUNGX-OCEACIFDSA-N
XLogP6.23
TPSA48.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone
CID 21420217
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
3-[[4-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484357
3-[[3-(diethylamino)phenoxy]methyl]benzenecarbothioamide
CID 39158567
1-[3-(diethylamino)phenoxy]propan-2-ol
CID 22760892
ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
CID 90477082
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline
CID 70890902
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline?
The IUPAC name of 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline (CID 91547953) is 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline.
What is the SMILES notation for 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline?
The canonical SMILES for 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline is [H]/N=N/C(c1ccccc1)c1ccc(COc2cccc(N(CC)CC)c2)cc1.
What is the InChIKey of 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline?
The InChIKey is MHPNQNVDXJUNGX-OCEACIFDSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-27(4-2)22-11-8-12-23(17-22)28-18-19-13-15-21(16-14-19)24(26-25)20-9-6-5-7-10-20/h5-17,24-25H,3-4,18H2,1-2H3/b26-25+.
What are the key properties of 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline?
3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline has a molecular weight of 373.50 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline is sourced from PubChem (CID 91547953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).