4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline

C20H26N2-2 — CID 101124306

IUPAC4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
SMILES[CH2-]C(c1ccc(N(C)C)cc1)C([CH2-])c1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2/c1-15(17-7-11-19(12-8-17)21(3)4)16(2)18-9-13-20(14-10-18)22(5)6/h7-16H,1-2H2,3-6H3/q-2
InChIKeyYDJYMTUCHCGINJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.35
Rot. Bonds5

About 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline

4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline (PubChem CID 101124306) has the molecular formula C20H26N2-2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
PubChem CID101124306
Molecular FormulaC20H26N2-2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
SMILES[CH2-]C(c1ccc(N(C)C)cc1)C([CH2-])c1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2/c1-15(17-7-11-19(12-8-17)21(3)4)16(2)18-9-13-20(14-10-18)22(5)6/h7-16H,1-2H2,3-6H3/q-2
InChIKeyYDJYMTUCHCGINJ-UHFFFAOYSA-N
XLogP4.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
bis[4-(dimethylamino)phenyl]methylazanium chloride
CID 146471304
2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
CID 54292070
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488
2,2-bis[4-(dimethylamino)phenyl]acetonitrile
CID 12561421
4-(1-iodohexan-2-yl)-N,N-dimethylaniline
CID 11078065
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
S-[bis[4-(dimethylamino)phenyl]methyl] ethanethioate
CID 12656517
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline (CID 101124306) is 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline is [CH2-]C(c1ccc(N(C)C)cc1)C([CH2-])c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline?
The InChIKey is YDJYMTUCHCGINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-15(17-7-11-19(12-8-17)21(3)4)16(2)18-9-13-20(14-10-18)22(5)6/h7-16H,1-2H2,3-6H3/q-2.
What are the key properties of 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline?
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline has a molecular weight of 294.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 101124306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).