N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine

C16H20N2S — CID 155070359

IUPACN,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H20N2S/c1-18(2)16(12-17)13-8-10-15(11-9-13)19-14-6-4-3-5-7-14/h3-11,16H,12,17H2,1-2H3
InChIKeyGMGSZAUJHZXKNX-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.40
Rot. Bonds5

About N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine

N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine (PubChem CID 155070359) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine
PubChem CID155070359
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H20N2S/c1-18(2)16(12-17)13-8-10-15(11-9-13)19-14-6-4-3-5-7-14/h3-11,16H,12,17H2,1-2H3
InChIKeyGMGSZAUJHZXKNX-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981
N,N,2-trimethyl-3-(4-phenylsulfanylphenyl)butan-1-amine
CID 20573275
2-methyl-3-(4-phenylsulfanylphenyl)propan-1-amine
CID 20573338
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
CID 16793435
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
CID 112657406
N,N-dimethyl-1-(1-methylpyrrol-3-yl)ethane-1,2-diamine
CID 82280376
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
N-methyl-N-(2-methylpropyl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43271958
N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
CID 20573835
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine (CID 155070359) is N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine is CN(C)C(CN)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine?
The InChIKey is GMGSZAUJHZXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-18(2)16(12-17)13-8-10-15(11-9-13)19-14-6-4-3-5-7-14/h3-11,16H,12,17H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine?
N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine has a molecular weight of 272.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 155070359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).