3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol

C16H21NO2S — CID 81128110

IUPAC3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
SMILESCOc1csc(C(O)C(CN)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H21NO2S/c1-10-4-5-12(6-11(10)2)14(8-17)16(18)15-7-13(19-3)9-20-15/h4-7,9,14,16,18H,8,17H2,1-3H3
InChIKeyCFFPMJVLWPHHIF-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.15
Rot. Bonds5

About 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol

3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol (PubChem CID 81128110) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
PubChem CID81128110
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
SMILESCOc1csc(C(O)C(CN)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H21NO2S/c1-10-4-5-12(6-11(10)2)14(8-17)16(18)15-7-13(19-3)9-20-15/h4-7,9,14,16,18H,8,17H2,1-3H3
InChIKeyCFFPMJVLWPHHIF-UHFFFAOYSA-N
XLogP3.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-methoxythiophen-2-yl)-2-pyridin-4-ylpropan-1-ol
CID 81129359
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
CID 81129593
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
[(3,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105300329
3-amino-1-(5-iodothiophen-3-yl)-2-(3-methoxy-4-methylphenyl)propan-1-ol
CID 79691413
3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107981150
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
1-amino-2-(3,4-dimethylphenyl)-4-ethylhexan-3-ol
CID 65188522
3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 106690431
3-amino-1-(4,5-dibromothiophen-2-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 80538027

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol (CID 81128110) is 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol is COc1csc(C(O)C(CN)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol?
The InChIKey is CFFPMJVLWPHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-10-4-5-12(6-11(10)2)14(8-17)16(18)15-7-13(19-3)9-20-15/h4-7,9,14,16,18H,8,17H2,1-3H3.
What are the key properties of 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol?
3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol has a molecular weight of 291.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol is sourced from PubChem (CID 81128110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).