4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol

C14H23NO2S — CID 113429395

IUPAC4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NCC(C)(C)SC)c1
InChIInChI=1S/C14H23NO2S/c1-10(15-9-14(2,3)18-5)12-8-11(17-4)6-7-13(12)16/h6-8,10,15-16H,9H2,1-5H3
InChIKeyXKAUARPMGOZRKS-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.19
Rot. Bonds6

About 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol

4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol (PubChem CID 113429395) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol
PubChem CID113429395
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NCC(C)(C)SC)c1
InChIInChI=1S/C14H23NO2S/c1-10(15-9-14(2,3)18-5)12-8-11(17-4)6-7-13(12)16/h6-8,10,15-16H,9H2,1-5H3
InChIKeyXKAUARPMGOZRKS-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262472
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
CID 54921188
2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol
CID 79548207
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262469
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol?
The IUPAC name of 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol (CID 113429395) is 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol is COc1ccc(O)c(C(C)NCC(C)(C)SC)c1.
What is the InChIKey of 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol?
The InChIKey is XKAUARPMGOZRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(15-9-14(2,3)18-5)12-8-11(17-4)6-7-13(12)16/h6-8,10,15-16H,9H2,1-5H3.
What are the key properties of 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol?
4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol has a molecular weight of 269.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol is sourced from PubChem (CID 113429395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).