1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol

C16H19NO2S — CID 62268494

IUPAC1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)COc2cccc(N)c2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-5-7-16(8-6-12)20-11-14(18)10-19-15-4-2-3-13(17)9-15/h2-9,14,18H,10-11,17H2,1H3
InChIKeyFXPSVMUNMSMSNR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.11
Rot. Bonds6

About 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol

1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 62268494) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID62268494
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)COc2cccc(N)c2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-5-7-16(8-6-12)20-11-14(18)10-19-15-4-2-3-13(17)9-15/h2-9,14,18H,10-11,17H2,1H3
InChIKeyFXPSVMUNMSMSNR-UHFFFAOYSA-N
XLogP3.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol
CID 107779961
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535
1-(3-aminophenoxy)-3-(3-hydroxypropylsulfanyl)propan-2-ol
CID 66113610
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(3-aminophenoxy)-3-(oxan-4-ylsulfanyl)propan-2-ol
CID 55141495
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol
CID 155719025
1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
CID 43531526
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
4-[2-hydroxy-3-(3-methylphenyl)sulfanylpropoxy]benzonitrile
CID 60593980
(2S)-1-(3-bromophenoxy)-3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 26009335

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol (CID 62268494) is 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(SCC(O)COc2cccc(N)c2)cc1.
What is the InChIKey of 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is FXPSVMUNMSMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-5-7-16(8-6-12)20-11-14(18)10-19-15-4-2-3-13(17)9-15/h2-9,14,18H,10-11,17H2,1H3.
What are the key properties of 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol?
1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 289.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 62268494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).