methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate

C16H19NO2S — CID 115462252

IUPACmethyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN[C@H](C)c1cccs1
InChIInChI=1S/C16H19NO2S/c1-12(15-8-5-9-20-15)17-11-14-7-4-3-6-13(14)10-16(18)19-2/h3-9,12,17H,10-11H2,1-2H3/t12-/m1/s1
InChIKeyBWHQGDMALNIJBF-GFCCVEGCSA-N
MW289.40 g/mol
LogP3.31
Rot. Bonds6

About methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate

methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate (PubChem CID 115462252) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
PubChem CID115462252
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Namemethyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN[C@H](C)c1cccs1
InChIInChI=1S/C16H19NO2S/c1-12(15-8-5-9-20-15)17-11-14-7-4-3-6-13(14)10-16(18)19-2/h3-9,12,17H,10-11H2,1-2H3/t12-/m1/s1
InChIKeyBWHQGDMALNIJBF-GFCCVEGCSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
methyl 3-[(2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724977
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711
methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
CID 115461620
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 43401659
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724941

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate (CID 115462252) is methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN[C@H](C)c1cccs1.
What is the InChIKey of methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate?
The InChIKey is BWHQGDMALNIJBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(15-8-5-9-20-15)17-11-14-7-4-3-6-13(14)10-16(18)19-2/h3-9,12,17H,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate?
methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate has a molecular weight of 289.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate is sourced from PubChem (CID 115462252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).