3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline

C16H20N2 — CID 12887380

IUPAC3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H20N2/c1-17(2)15-9-5-7-13(11-15)14-8-6-10-16(12-14)18(3)4/h5-12H,1-4H3
InChIKeyWHOYUQYNLRDXJK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.49
Rot. Bonds3

About 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline

3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline (PubChem CID 12887380) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline
PubChem CID12887380
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H20N2/c1-17(2)15-9-5-7-13(11-15)14-8-6-10-16(12-14)18(3)4/h5-12H,1-4H3
InChIKeyWHOYUQYNLRDXJK-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Crystal Violet
CID 11057
Imipramine
CID 3696
Dimethyl-p-toluidine
CID 7471
Malachite Green
CID 11294
Imipramine Hydrochloride
CID 8228
Trimipramine
CID 5584
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Aprindine
CID 2218
Solvent Yellow 34
CID 10298

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline (CID 12887380) is 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline is CN(C)c1cccc(-c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline?
The InChIKey is WHOYUQYNLRDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-17(2)15-9-5-7-13(11-15)14-8-6-10-16(12-14)18(3)4/h5-12H,1-4H3.
What are the key properties of 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline?
3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 12887380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).