4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane

C20H32N2 — CID 91522137

IUPAC4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
SMILESCC.CC.CN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2.2C2H6/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;2*1-2/h5-12H,1-4H3;2*1-2H3
InChIKeyLQTRJSBBZVQIRM-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.54
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane (PubChem CID 91522137) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
PubChem CID91522137
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
SMILESCC.CC.CN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2.2C2H6/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;2*1-2/h5-12H,1-4H3;2*1-2H3
InChIKeyLQTRJSBBZVQIRM-UHFFFAOYSA-N
XLogP5.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
4-[5-[4-(dimethylamino)phenyl]pyrazin-2-yl]-N,N-dimethylaniline
CID 102012408
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
3-[4-(dimethylamino)phenyl]phenol
CID 39231657
4-(3-fluorophenyl)-N,N-dimethylaniline
CID 54450896
CID 102273448
CID 102273448

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane (CID 91522137) is 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane is CC.CC.CN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane?
The InChIKey is LQTRJSBBZVQIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.2C2H6/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;2*1-2/h5-12H,1-4H3;2*1-2H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane?
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane has a molecular weight of 300.49 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane is sourced from PubChem (CID 91522137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).