[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide

C23H27N3O2 — CID 158176107

IUPAC[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide
SMILESCN(C)c1ccc(C(c2ccc([NH+]=O)cc2)c2ccc(N(C)C)cc2)cc1.[OH-]
InChIInChI=1S/C23H25N3O.H2O/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24-27)12-6-17)19-9-15-22(16-10-19)26(3)4;/h5-16,23H,1-4H3;1H2
InChIKeyWGFRURYOQWMKAP-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.30
Rot. Bonds6

About [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide

[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide (PubChem CID 158176107) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide.

Molecular Properties

Compound Name[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide
PubChem CID158176107
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide
SMILESCN(C)c1ccc(C(c2ccc([NH+]=O)cc2)c2ccc(N(C)C)cc2)cc1.[OH-]
InChIInChI=1S/C23H25N3O.H2O/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24-27)12-6-17)19-9-15-22(16-10-19)26(3)4;/h5-16,23H,1-4H3;1H2
InChIKeyWGFRURYOQWMKAP-UHFFFAOYSA-N
XLogP3.30
TPSA67.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 154612128
potassium;4-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid;hydride
CID 173449408
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768
[4-(dimethylamino)phenyl]-methylideneazanium
CID 163760685
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
[[4-(dimethylamino)phenyl]-hydroxymethyl]phosphonic acid
CID 19356884
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
CID 54292070
3-[bis[4-(dimethylamino)phenyl]methyl]aniline;ethane
CID 142155282

Frequently Asked Questions

What is the IUPAC name of [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide?
The IUPAC name of [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide (CID 158176107) is [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide.
What is the SMILES notation for [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide?
The canonical SMILES for [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide is CN(C)c1ccc(C(c2ccc([NH+]=O)cc2)c2ccc(N(C)C)cc2)cc1.[OH-].
What is the InChIKey of [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide?
The InChIKey is WGFRURYOQWMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.H2O/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24-27)12-6-17)19-9-15-22(16-10-19)26(3)4;/h5-16,23H,1-4H3;1H2.
What are the key properties of [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide?
[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide has a molecular weight of 377.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide is sourced from PubChem (CID 158176107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).