2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol

C16H21NO2S — CID 103785255

IUPAC2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
SMILESCOc1ccccc1CC(C)NCC(O)c1ccsc1
InChIInChI=1S/C16H21NO2S/c1-12(9-13-5-3-4-6-16(13)19-2)17-10-15(18)14-7-8-20-11-14/h3-8,11-12,15,17-18H,9-10H2,1-2H3
InChIKeyFEABTNXUSLGIKQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.01
Rot. Bonds7

About 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol

2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol (PubChem CID 103785255) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
PubChem CID103785255
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
SMILESCOc1ccccc1CC(C)NCC(O)c1ccsc1
InChIInChI=1S/C16H21NO2S/c1-12(9-13-5-3-4-6-16(13)19-2)17-10-15(18)14-7-8-20-11-14/h3-8,11-12,15,17-18H,9-10H2,1-2H3
InChIKeyFEABTNXUSLGIKQ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145
1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 110898147
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
CID 97215552
2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
CID 18628145
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol
CID 75472029
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613
2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol
CID 106434602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol (CID 103785255) is 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol is COc1ccccc1CC(C)NCC(O)c1ccsc1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol?
The InChIKey is FEABTNXUSLGIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(9-13-5-3-4-6-16(13)19-2)17-10-15(18)14-7-8-20-11-14/h3-8,11-12,15,17-18H,9-10H2,1-2H3.
What are the key properties of 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol?
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol has a molecular weight of 291.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103785255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).