1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol

C15H18ClNO2S — CID 62840500

IUPAC1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C15H18ClNO2S/c1-11(12-6-7-20-10-12)17-8-14(18)9-19-15-4-2-13(16)3-5-15/h2-7,10-11,14,17-18H,8-9H2,1H3
InChIKeyFXMPLFFQPRPWFE-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.49
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol

1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol (PubChem CID 62840500) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
PubChem CID62840500
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C15H18ClNO2S/c1-11(12-6-7-20-10-12)17-8-14(18)9-19-15-4-2-13(16)3-5-15/h2-7,10-11,14,17-18H,8-9H2,1H3
InChIKeyFXMPLFFQPRPWFE-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185
1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62839978
1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841532
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
1-(4-chlorophenoxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 61474000
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
1-(but-3-yn-2-ylamino)-3-(4-chlorophenoxy)propan-2-ol
CID 114416810
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propane-1,3-diol
CID 65314255
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol (CID 62840500) is 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol is CC(NCC(O)COc1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The InChIKey is FXMPLFFQPRPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-11(12-6-7-20-10-12)17-8-14(18)9-19-15-4-2-13(16)3-5-15/h2-7,10-11,14,17-18H,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol?
1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol has a molecular weight of 311.83 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 62840500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).