N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine

C23H25NS — CID 20572954

IUPACN,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
SMILESCNCC(C)C(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C23H25NS/c1-18(17-24-2)23(19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-21-11-7-4-8-12-21/h3-16,18,23-24H,17H2,1-2H3
InChIKeyWRRKDMBXKJGKJX-UHFFFAOYSA-N
MW347.53 g/mol
LogP5.83
Rot. Bonds7

About N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine

N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine (PubChem CID 20572954) has the molecular formula C23H25NS and a molecular weight of 347.53 g/mol. Its IUPAC name is N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
PubChem CID20572954
Molecular FormulaC23H25NS
Molecular Weight347.53 g/mol
Exact Mass347.17
IUPAC NameN,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
SMILESCNCC(C)C(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C23H25NS/c1-18(17-24-2)23(19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-21-11-7-4-8-12-21/h3-16,18,23-24H,17H2,1-2H3
InChIKeyWRRKDMBXKJGKJX-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine (CID 20572954) is N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine is CNCC(C)C(c1ccccc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine?
The InChIKey is WRRKDMBXKJGKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NS/c1-18(17-24-2)23(19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-21-11-7-4-8-12-21/h3-16,18,23-24H,17H2,1-2H3.
What are the key properties of N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine?
N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine has a molecular weight of 347.53 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 20572954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).