2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol

C14H23NOS — CID 113477091

IUPAC2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
SMILESCSCCC(C)NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H23NOS/c1-10-7-13(8-11(2)14(10)16)9-15-12(3)5-6-17-4/h7-8,12,15-16H,5-6,9H2,1-4H3
InChIKeyQLODVNIWBGKZEL-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.24
Rot. Bonds6

About 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol

2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol (PubChem CID 113477091) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
PubChem CID113477091
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
SMILESCSCCC(C)NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H23NOS/c1-10-7-13(8-11(2)14(10)16)9-15-12(3)5-6-17-4/h7-8,12,15-16H,5-6,9H2,1-4H3
InChIKeyQLODVNIWBGKZEL-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 43085015
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
3-[(4-methylsulfanylbutan-2-ylamino)methyl]benzene-1,2-diol
CID 115978637
4-[(4-methylsulfanylbutan-2-ylamino)methyl]benzene-1,3-diol
CID 115640024
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639975
N-[4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenyl]acetamide
CID 115639969
2-chloro-6-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 115907627
4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 115640046
4-chloro-2-methoxy-6-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 104646395
4-methylsulfanyl-N-[(2,4,5-trifluorophenyl)methyl]butan-2-amine
CID 103793144
2-fluoro-5-[(4-methylsulfanylbutan-2-ylamino)methyl]benzonitrile
CID 107880447
N-[(3,5-dimethylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639704

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol (CID 113477091) is 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol is CSCCC(C)NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol?
The InChIKey is QLODVNIWBGKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-7-13(8-11(2)14(10)16)9-15-12(3)5-6-17-4/h7-8,12,15-16H,5-6,9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol?
2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol has a molecular weight of 253.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol is sourced from PubChem (CID 113477091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).