2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine

C15H25NS — CID 63980863

IUPAC2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine
SMILESCCC(NCC(C)CSC)c1ccc(C)cc1
InChIInChI=1S/C15H25NS/c1-5-15(16-10-13(3)11-17-4)14-8-6-12(2)7-9-14/h6-9,13,15-16H,5,10-11H2,1-4H3
InChIKeyYJNXJGATYQSCKR-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.03
Rot. Bonds7

About 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine

2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine (PubChem CID 63980863) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine
PubChem CID63980863
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine
SMILESCCC(NCC(C)CSC)c1ccc(C)cc1
InChIInChI=1S/C15H25NS/c1-5-15(16-10-13(3)11-17-4)14-8-6-12(2)7-9-14/h6-9,13,15-16H,5,10-11H2,1-4H3
InChIKeyYJNXJGATYQSCKR-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981732
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
CID 63983409
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
CID 112811027
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983887
2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 63983664
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62749243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine (CID 63980863) is 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine is CCC(NCC(C)CSC)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is YJNXJGATYQSCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-15(16-10-13(3)11-17-4)14-8-6-12(2)7-9-14/h6-9,13,15-16H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine?
2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63980863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).