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

C18H26N2OS — CID 157316165

IUPAC4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
SMILESCN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1.CS(C)=O
InChIInChI=1S/C16H20N2.C2H6OS/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;1-4(2)3/h5-12H,1-4H3;1-2H3
InChIKeyBDPRSILBANSSSQ-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.48
Rot. Bonds3

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

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane (PubChem CID 157316165) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
PubChem CID157316165
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
SMILESCN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1.CS(C)=O
InChIInChI=1S/C16H20N2.C2H6OS/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;1-4(2)3/h5-12H,1-4H3;1-2H3
InChIKeyBDPRSILBANSSSQ-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-(4-chlorophenyl)-N,N-dimethylaniline
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4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488
4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
CID 19981020
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
1,4,5,8-tetrakis[4-(dimethylamino)phenyl]anthracene-9,10-dione
CID 25054151
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-[5-[4-(dimethylamino)phenyl]pyrazin-2-yl]-N,N-dimethylaniline
CID 102012408

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane (CID 157316165) is 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane is CN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1.CS(C)=O.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane?
The InChIKey is BDPRSILBANSSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C2H6OS/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4;1-4(2)3/h5-12H,1-4H3;1-2H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane?
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane has a molecular weight of 318.49 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane is sourced from PubChem (CID 157316165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).