2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol

C13H21NOS — CID 106508573

IUPAC2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CN)(CO)c1ccc(C)cc1
InChIInChI=1S/C13H21NOS/c1-11-3-5-12(6-4-11)13(9-14,10-15)7-8-16-2/h3-6,15H,7-10,14H2,1-2H3
InChIKeyTULPDPYGTNUOLN-UHFFFAOYSA-N
MW239.38 g/mol
LogP1.94
Rot. Bonds6

About 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol

2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol (PubChem CID 106508573) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol
PubChem CID106508573
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CN)(CO)c1ccc(C)cc1
InChIInChI=1S/C13H21NOS/c1-11-3-5-12(6-4-11)13(9-14,10-15)7-8-16-2/h3-6,15H,7-10,14H2,1-2H3
InChIKeyTULPDPYGTNUOLN-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
CID 106508544
2-(aminomethyl)-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-ol
CID 106730839
2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol
CID 106508588
2-(aminomethyl)-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 106508658
2-(aminomethyl)-4-methoxy-2-(4-methylphenyl)pentan-1-ol
CID 106508650
2-(3,3-dimethylbutyl)-2-(4-methylphenyl)propane-1,3-diol
CID 79449778
2-butyl-2-(4-methylphenyl)propane-1,3-diol
CID 79449599
2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 106508546
2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 106508633
2-heptyl-2-(4-methylphenyl)propane-1,3-diol
CID 79450135
2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol
CID 106508625
2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 106508554

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol (CID 106508573) is 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol is CSCCC(CN)(CO)c1ccc(C)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol?
The InChIKey is TULPDPYGTNUOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11-3-5-12(6-4-11)13(9-14,10-15)7-8-16-2/h3-6,15H,7-10,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol?
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106508573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).