4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine

C16H27NOS — CID 43693156

IUPAC4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1ccc(SC)cc1
InChIInChI=1S/C16H27NOS/c1-12(11-16(3,4)18-5)17-13(2)14-7-9-15(19-6)10-8-14/h7-10,12-13,17H,11H2,1-6H3
InChIKeyAPXIMDOWMMIKDR-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.26
Rot. Bonds7

About 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine

4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine (PubChem CID 43693156) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine
PubChem CID43693156
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1ccc(SC)cc1
InChIInChI=1S/C16H27NOS/c1-12(11-16(3,4)18-5)17-13(2)14-7-9-15(19-6)10-8-14/h7-10,12-13,17H,11H2,1-6H3
InChIKeyAPXIMDOWMMIKDR-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
CID 81349447
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147148
1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 113247045
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
CID 65337707
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43689410
4,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 103717034
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine (CID 43693156) is 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine is COC(C)(C)CC(C)NC(C)c1ccc(SC)cc1.
What is the InChIKey of 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine?
The InChIKey is APXIMDOWMMIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-12(11-16(3,4)18-5)17-13(2)14-7-9-15(19-6)10-8-14/h7-10,12-13,17H,11H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 43693156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).