1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

C18H25NO4S — CID 46006985

IUPAC1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOCCN(Cc1cccs1)CC(O)COc1ccc(OC)cc1
InChIInChI=1S/C18H25NO4S/c1-21-10-9-19(13-18-4-3-11-24-18)12-15(20)14-23-17-7-5-16(22-2)6-8-17/h3-8,11,15,20H,9-10,12-14H2,1-2H3
InChIKeyHIRKHQSAZHERAI-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.64
Rot. Bonds11

About 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol

1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 46006985) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID46006985
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOCCN(Cc1cccs1)CC(O)COc1ccc(OC)cc1
InChIInChI=1S/C18H25NO4S/c1-21-10-9-19(13-18-4-3-11-24-18)12-15(20)14-23-17-7-5-16(22-2)6-8-17/h3-8,11,15,20H,9-10,12-14H2,1-2H3
InChIKeyHIRKHQSAZHERAI-UHFFFAOYSA-N
XLogP2.64
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 24713399
(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161338
(2S)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161343
(2S)-1-(4-chlorophenoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 93162860
(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160404
1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 46007761
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
1-(4-chlorophenoxy)-3-[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]propan-2-ol
CID 46006759
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
CID 24713400

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (CID 46006985) is 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol is COCCN(Cc1cccs1)CC(O)COc1ccc(OC)cc1.
What is the InChIKey of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is HIRKHQSAZHERAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-21-10-9-19(13-18-4-3-11-24-18)12-15(20)14-23-17-7-5-16(22-2)6-8-17/h3-8,11,15,20H,9-10,12-14H2,1-2H3.
What are the key properties of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol?
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 351.47 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 46006985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).