N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine

C12H19NS — CID 46882974

IUPACN,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCSc1ccc(CC(C)N(C)C)cc1
InChIInChI=1S/C12H19NS/c1-10(13(2)3)9-11-5-7-12(14-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyNFRBJBFYUNQIQP-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.90
Rot. Bonds4

About N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine

N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine (PubChem CID 46882974) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine
PubChem CID46882974
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCSc1ccc(CC(C)N(C)C)cc1
InChIInChI=1S/C12H19NS/c1-10(13(2)3)9-11-5-7-12(14-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyNFRBJBFYUNQIQP-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.90
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-(4-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine (CID 46882974) is N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine is CSc1ccc(CC(C)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The InChIKey is NFRBJBFYUNQIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10(13(2)3)9-11-5-7-12(14-4)8-6-11/h5-8,10H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine?
N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 46882974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).