2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine

C15H25NS — CID 105017368

IUPAC2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(SC)cc1)C(C)CC
InChIInChI=1S/C15H25NS/c1-5-11-16-15(12(3)6-2)13-7-9-14(17-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3
InChIKeyLHCYBNUZRRGFSE-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.50
Rot. Bonds7

About 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine

2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine (PubChem CID 105017368) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
PubChem CID105017368
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(SC)cc1)C(C)CC
InChIInChI=1S/C15H25NS/c1-5-11-16-15(12(3)6-2)13-7-9-14(17-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3
InChIKeyLHCYBNUZRRGFSE-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
2-methyl-N-propyl-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 79445771
2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine
CID 106849374
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
3-methyl-1-(4-methylsulfanylphenyl)-N-propylhexan-1-amine
CID 115845374
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
1-(3-fluoro-4-methylphenyl)-2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 114222098
3-methylidene-1-(4-methylsulfanylphenyl)-N-propylpentan-1-amine
CID 105005861
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
N-[(3,5-dimethylcyclohexyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 104988770
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine (CID 105017368) is 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine is CCCNC(c1ccc(SC)cc1)C(C)CC.
What is the InChIKey of 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine?
The InChIKey is LHCYBNUZRRGFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-11-16-15(12(3)6-2)13-7-9-14(17-4)10-8-13/h7-10,12,15-16H,5-6,11H2,1-4H3.
What are the key properties of 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine?
2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 105017368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).