bis[4-(dimethylamino)phenyl]methylazanium chloride

C17H24ClN3 — CID 146471304

IUPACbis[4-(dimethylamino)phenyl]methylazanium chloride
SMILESCN(C)c1ccc(C([NH3+])c2ccc(N(C)C)cc2)cc1.[Cl-]
InChIInChI=1S/C17H23N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,17H,18H2,1-4H3;1H
InChIKeyUHFNEBGIBKVPEC-UHFFFAOYSA-N
MW305.85 g/mol
LogP-0.85
Rot. Bonds4

About bis[4-(dimethylamino)phenyl]methylazanium chloride

bis[4-(dimethylamino)phenyl]methylazanium chloride (PubChem CID 146471304) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is bis[4-(dimethylamino)phenyl]methylazanium chloride.

Molecular Properties

Compound Namebis[4-(dimethylamino)phenyl]methylazanium chloride
PubChem CID146471304
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Namebis[4-(dimethylamino)phenyl]methylazanium chloride
SMILESCN(C)c1ccc(C([NH3+])c2ccc(N(C)C)cc2)cc1.[Cl-]
InChIInChI=1S/C17H23N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,17H,18H2,1-4H3;1H
InChIKeyUHFNEBGIBKVPEC-UHFFFAOYSA-N
XLogP-0.85
TPSA34.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
2,2-bis[4-(dimethylamino)phenyl]acetonitrile
CID 12561421
2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
CID 54292070
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488
potassium;4-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid;hydride
CID 173449408
4-[(4-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105088233
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280

Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)phenyl]methylazanium chloride?
The IUPAC name of bis[4-(dimethylamino)phenyl]methylazanium chloride (CID 146471304) is bis[4-(dimethylamino)phenyl]methylazanium chloride.
What is the SMILES notation for bis[4-(dimethylamino)phenyl]methylazanium chloride?
The canonical SMILES for bis[4-(dimethylamino)phenyl]methylazanium chloride is CN(C)c1ccc(C([NH3+])c2ccc(N(C)C)cc2)cc1.[Cl-].
What is the InChIKey of bis[4-(dimethylamino)phenyl]methylazanium chloride?
The InChIKey is UHFNEBGIBKVPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,17H,18H2,1-4H3;1H.
What are the key properties of bis[4-(dimethylamino)phenyl]methylazanium chloride?
bis[4-(dimethylamino)phenyl]methylazanium chloride has a molecular weight of 305.85 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)phenyl]methylazanium chloride is sourced from PubChem (CID 146471304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).