3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol

C15H25NO2S — CID 66102558

IUPAC3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCCCOc1ccc(C(N)CSCC(C)CO)cc1
InChIInChI=1S/C15H25NO2S/c1-3-8-18-14-6-4-13(5-7-14)15(16)11-19-10-12(2)9-17/h4-7,12,15,17H,3,8-11,16H2,1-2H3
InChIKeyMKXGRUARQXPFNW-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.84
Rot. Bonds9

About 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol

3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 66102558) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
PubChem CID66102558
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCCCOc1ccc(C(N)CSCC(C)CO)cc1
InChIInChI=1S/C15H25NO2S/c1-3-8-18-14-6-4-13(5-7-14)15(16)11-19-10-12(2)9-17/h4-7,12,15,17H,3,8-11,16H2,1-2H3
InChIKeyMKXGRUARQXPFNW-UHFFFAOYSA-N
XLogP2.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79671253
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64609270
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628453
1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64620813

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol (CID 66102558) is 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol is CCCOc1ccc(C(N)CSCC(C)CO)cc1.
What is the InChIKey of 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is MKXGRUARQXPFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-8-18-14-6-4-13(5-7-14)15(16)11-19-10-12(2)9-17/h4-7,12,15,17H,3,8-11,16H2,1-2H3.
What are the key properties of 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66102558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).