1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol

C17H23NO2S — CID 61223540

IUPAC1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)Cc1ccsc1
InChIInChI=1S/C17H23NO2S/c1-13-5-3-4-6-17(13)20-11-16(19)10-18-14(2)9-15-7-8-21-12-15/h3-8,12,14,16,18-19H,9-11H2,1-2H3
InChIKeyBJIMRMPJCNIZJH-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.02
Rot. Bonds8

About 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol

1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol (PubChem CID 61223540) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
PubChem CID61223540
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)Cc1ccsc1
InChIInChI=1S/C17H23NO2S/c1-13-5-3-4-6-17(13)20-11-16(19)10-18-14(2)9-15-7-8-21-12-15/h3-8,12,14,16,18-19H,9-11H2,1-2H3
InChIKeyBJIMRMPJCNIZJH-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(4-bromophenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61223351
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 57123059
1-hexoxy-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61222794
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 111462130
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol (CID 61223540) is 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol is Cc1ccccc1OCC(O)CNC(C)Cc1ccsc1.
What is the InChIKey of 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is BJIMRMPJCNIZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-13-5-3-4-6-17(13)20-11-16(19)10-18-14(2)9-15-7-8-21-12-15/h3-8,12,14,16,18-19H,9-11H2,1-2H3.
What are the key properties of 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol?
1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 61223540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).