methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate

C16H19NO3S — CID 82886709

IUPACmethyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCC(O)c2ccccc2)s1
InChIInChI=1S/C16H19NO3S/c1-20-16(19)9-13-7-8-14(21-13)10-17-11-15(18)12-5-3-2-4-6-12/h2-8,15,17-18H,9-11H2,1H3
InChIKeyQKBNASSYVGVKHW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.29
Rot. Bonds7

About methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate (PubChem CID 82886709) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate
PubChem CID82886709
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Namemethyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCC(O)c2ccccc2)s1
InChIInChI=1S/C16H19NO3S/c1-20-16(19)9-13-7-8-14(21-13)10-17-11-15(18)12-5-3-2-4-6-12/h2-8,15,17-18H,9-11H2,1H3
InChIKeyQKBNASSYVGVKHW-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
methyl 2-[5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]thiophen-2-yl]acetate
CID 113352470
(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286
methyl 2-[5-[[(2-bromophenyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894798
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]thiophen-2-yl]acetate
CID 82886524
methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82887589
methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate
CID 82886296
methyl 2-[5-[(2-acetamidoethylamino)methyl]thiophen-2-yl]acetate
CID 82894116
methyl 2-[5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophen-2-yl]acetate
CID 82894708
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate (CID 82886709) is methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCC(O)c2ccccc2)s1.
What is the InChIKey of methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate?
The InChIKey is QKBNASSYVGVKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-20-16(19)9-13-7-8-14(21-13)10-17-11-15(18)12-5-3-2-4-6-12/h2-8,15,17-18H,9-11H2,1H3.
What are the key properties of methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate has a molecular weight of 305.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82886709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).