N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine

C25H28N2S — CID 11545551

IUPACN,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccc(-c3ccccc3Sc3ccccc3)cc2)C1
InChIInChI=1S/C25H28N2S/c1-26(2)22-16-17-27(19-22)18-20-12-14-21(15-13-20)24-10-6-7-11-25(24)28-23-8-4-3-5-9-23/h3-15,22H,16-19H2,1-2H3
InChIKeyNZFRWEYOIWNFFK-UHFFFAOYSA-N
MW388.58 g/mol
LogP5.64
Rot. Bonds6

About N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine

N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 11545551) has the molecular formula C25H28N2S and a molecular weight of 388.58 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID11545551
Molecular FormulaC25H28N2S
Molecular Weight388.58 g/mol
Exact Mass388.20
IUPAC NameN,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccc(-c3ccccc3Sc3ccccc3)cc2)C1
InChIInChI=1S/C25H28N2S/c1-26(2)22-16-17-27(19-22)18-20-12-14-21(15-13-20)24-10-6-7-11-25(24)28-23-8-4-3-5-9-23/h3-15,22H,16-19H2,1-2H3
InChIKeyNZFRWEYOIWNFFK-UHFFFAOYSA-N
XLogP5.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11696722
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70755812
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine (CID 11545551) is N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine is CN(C)C1CCN(Cc2ccc(-c3ccccc3Sc3ccccc3)cc2)C1.
What is the InChIKey of N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is NZFRWEYOIWNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2S/c1-26(2)22-16-17-27(19-22)18-20-12-14-21(15-13-20)24-10-6-7-11-25(24)28-23-8-4-3-5-9-23/h3-15,22H,16-19H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 388.58 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11545551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).