N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine

C17H21NS — CID 11834811

IUPACN,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine
SMILESCC(Cc1ccccc1Sc1ccccc1)N(C)C
InChIInChI=1S/C17H21NS/c1-14(18(2)3)13-15-9-7-8-12-17(15)19-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3
InChIKeyYFCHMEKCUKTZHE-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.33
Rot. Bonds5

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

N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine (PubChem CID 11834811) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine
PubChem CID11834811
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine
SMILESCC(Cc1ccccc1Sc1ccccc1)N(C)C
InChIInChI=1S/C17H21NS/c1-14(18(2)3)13-15-9-7-8-12-17(15)19-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3
InChIKeyYFCHMEKCUKTZHE-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine?
The IUPAC name of N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine (CID 11834811) is N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine?
The canonical SMILES for N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine is CC(Cc1ccccc1Sc1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine?
The InChIKey is YFCHMEKCUKTZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-14(18(2)3)13-15-9-7-8-12-17(15)19-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine?
N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 11834811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).