2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol

C15H25NO2S — CID 111456696

IUPAC2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1ccc(SC)c(OC)c1
InChIInChI=1S/C15H25NO2S/c1-5-8-15(2,11-17)16-10-12-6-7-14(19-4)13(9-12)18-3/h6-7,9,16-17H,5,8,10-11H2,1-4H3
InChIKeyMVEUHIXRIKVBCW-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.06
Rot. Bonds8

About 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol

2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol (PubChem CID 111456696) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol
PubChem CID111456696
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1ccc(SC)c(OC)c1
InChIInChI=1S/C15H25NO2S/c1-5-8-15(2,11-17)16-10-12-6-7-14(19-4)13(9-12)18-3/h6-7,9,16-17H,5,8,10-11H2,1-4H3
InChIKeyMVEUHIXRIKVBCW-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-nitrophenyl)methylamino]-2-methylpentan-1-ol
CID 111432912
4-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470685
1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119108
2-methoxy-1-methylsulfanyl-4-propylbenzene
CID 91881478
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 111916693
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
4-(iodomethyl)-2-methoxy-1-methylsulfanylbenzene
CID 91881553
2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol
CID 115702491
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol (CID 111456696) is 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol is CCCC(C)(CO)NCc1ccc(SC)c(OC)c1.
What is the InChIKey of 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol?
The InChIKey is MVEUHIXRIKVBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-8-15(2,11-17)16-10-12-6-7-14(19-4)13(9-12)18-3/h6-7,9,16-17H,5,8,10-11H2,1-4H3.
What are the key properties of 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol?
2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 111456696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).