2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

C19H25NO2S — CID 99947009

IUPAC2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1ccc(-c2ccccc2)s1)C[C@H]1CCCO1
InChIInChI=1S/C19H25NO2S/c1-21-13-11-20(14-17-8-5-12-22-17)15-18-9-10-19(23-18)16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-15H2,1H3/t17-/m1/s1
InChIKeyXXUZWRAKBVIFCR-QGZVFWFLSA-N
MW331.48 g/mol
LogP4.04
Rot. Bonds8

About 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 99947009) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID99947009
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1ccc(-c2ccccc2)s1)C[C@H]1CCCO1
InChIInChI=1S/C19H25NO2S/c1-21-13-11-20(14-17-8-5-12-22-17)15-18-9-10-19(23-18)16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-15H2,1H3/t17-/m1/s1
InChIKeyXXUZWRAKBVIFCR-QGZVFWFLSA-N
XLogP4.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 99928125
1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97454548
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
6-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]pyridin-2-amine
CID 99800051
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyethanamine
CID 134696986
N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 112501596
1-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121497075
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 25274205
3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one
CID 124907184
1-(2-methylphenoxy)-3-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
CID 46007511
2-(oxan-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]acetamide
CID 110631429

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (CID 99947009) is 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is COCCN(Cc1ccc(-c2ccccc2)s1)C[C@H]1CCCO1.
What is the InChIKey of 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is XXUZWRAKBVIFCR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-21-13-11-20(14-17-8-5-12-22-17)15-18-9-10-19(23-18)16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 331.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 99947009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).