2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol

C16H21NO3S — CID 103717090

IUPAC2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
SMILESCOc1ccc(C(C)NCC(O)c2ccsc2)cc1OC
InChIInChI=1S/C16H21NO3S/c1-11(17-9-14(18)13-6-7-21-10-13)12-4-5-15(19-2)16(8-12)20-3/h4-8,10-11,14,17-18H,9H2,1-3H3
InChIKeyBBWUQIVJNHPEMA-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.15
Rot. Bonds7

About 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol

2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol (PubChem CID 103717090) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
PubChem CID103717090
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
SMILESCOc1ccc(C(C)NCC(O)c2ccsc2)cc1OC
InChIInChI=1S/C16H21NO3S/c1-11(17-9-14(18)13-6-7-21-10-13)12-4-5-15(19-2)16(8-12)20-3/h4-8,10-11,14,17-18H,9H2,1-3H3
InChIKeyBBWUQIVJNHPEMA-UHFFFAOYSA-N
XLogP3.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
(2S)-3-[1-(3,4-dimethoxyphenyl)ethylamino]propane-1,2-diol
CID 61172770
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol
CID 75472029
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
CID 63928817
2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103785297
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
(1S)-2-[[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 97232542
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
CID 103785265
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61172596

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol (CID 103717090) is 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol is COc1ccc(C(C)NCC(O)c2ccsc2)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is BBWUQIVJNHPEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-11(17-9-14(18)13-6-7-21-10-13)12-4-5-15(19-2)16(8-12)20-3/h4-8,10-11,14,17-18H,9H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol?
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 307.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103717090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).