1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine

C15H25NS — CID 113261798

IUPAC1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
SMILESCSCC(C)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NS/c1-11(2)14-6-8-15(9-7-14)13(4)16-12(3)10-17-5/h6-9,11-13,16H,10H2,1-5H3
InChIKeyGTGSCEZMKXMSDA-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.21
Rot. Bonds6

About 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine

1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine (PubChem CID 113261798) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
PubChem CID113261798
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
SMILESCSCC(C)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NS/c1-11(2)14-6-8-15(9-7-14)13(4)16-12(3)10-17-5/h6-9,11-13,16H,10H2,1-5H3
InChIKeyGTGSCEZMKXMSDA-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721846
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115663811
N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 115677186
N-[1-(4-chlorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115725719
N-[1-(4-chlorophenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115899225
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115663810
1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 113247045
4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115722060
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721712
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine (CID 113261798) is 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine is CSCC(C)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine?
The InChIKey is GTGSCEZMKXMSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-11(2)14-6-8-15(9-7-14)13(4)16-12(3)10-17-5/h6-9,11-13,16H,10H2,1-5H3.
What are the key properties of 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine?
1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 113261798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).