1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol

C16H21NO2S — CID 81408747

IUPAC1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
SMILESCc1ccccc1OCC(O)CN[C@@H](C)c1cccs1
InChIInChI=1S/C16H21NO2S/c1-12-6-3-4-7-15(12)19-11-14(18)10-17-13(2)16-8-5-9-20-16/h3-9,13-14,17-18H,10-11H2,1-2H3/t13-,14?/m0/s1
InChIKeyFEMUWXPNGKBCRV-LSLKUGRBSA-N
MW291.42 g/mol
LogP3.15
Rot. Bonds7

About 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol

1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol (PubChem CID 81408747) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
PubChem CID81408747
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
SMILESCc1ccccc1OCC(O)CN[C@@H](C)c1cccs1
InChIInChI=1S/C16H21NO2S/c1-12-6-3-4-7-15(12)19-11-14(18)10-17-13(2)16-8-5-9-20-16/h3-9,13-14,17-18H,10-11H2,1-2H3/t13-,14?/m0/s1
InChIKeyFEMUWXPNGKBCRV-LSLKUGRBSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Analyze 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137
1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959141
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 61469219
1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
CID 138959128
1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959112
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol (CID 81408747) is 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol is Cc1ccccc1OCC(O)CN[C@@H](C)c1cccs1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The InChIKey is FEMUWXPNGKBCRV-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12-6-3-4-7-15(12)19-11-14(18)10-17-13(2)16-8-5-9-20-16/h3-9,13-14,17-18H,10-11H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol?
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol has a molecular weight of 291.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81408747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).