N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine

C15H25NS — CID 63983887

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(C)c1cc(C)ccc1C
InChIInChI=1S/C15H25NS/c1-11-6-7-13(3)15(8-11)14(4)16-9-12(2)10-17-5/h6-8,12,14,16H,9-10H2,1-5H3
InChIKeyWRFIHRLBFBIEKC-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.95
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine

N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63983887) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63983887
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(C)c1cc(C)ccc1C
InChIInChI=1S/C15H25NS/c1-11-6-7-13(3)15(8-11)14(4)16-9-12(2)10-17-5/h6-8,12,14,16H,9-10H2,1-5H3
InChIKeyWRFIHRLBFBIEKC-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 115641493
N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350300
2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781596
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 113261530
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
CID 115729117
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222
2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine
CID 63980863
1-(2,5-dimethylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 64686932

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine (CID 63983887) is N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNC(C)c1cc(C)ccc1C.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is WRFIHRLBFBIEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-11-6-7-13(3)15(8-11)14(4)16-9-12(2)10-17-5/h6-8,12,14,16H,9-10H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63983887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).