N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

C16H23F2NO3 — CID 99928125

IUPACN-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESCOCCN(Cc1c(OC)ccc(F)c1F)C[C@H]1CCCO1
InChIInChI=1S/C16H23F2NO3/c1-20-9-7-19(10-12-4-3-8-22-12)11-13-15(21-2)6-5-14(17)16(13)18/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m1/s1
InChIKeyUFWLQQCJHRTYQG-GFCCVEGCSA-N
MW315.36 g/mol
LogP2.60
Rot. Bonds8

About N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (PubChem CID 99928125) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
PubChem CID99928125
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC NameN-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESCOCCN(Cc1c(OC)ccc(F)c1F)C[C@H]1CCCO1
InChIInChI=1S/C16H23F2NO3/c1-20-9-7-19(10-12-4-3-8-22-12)11-13-15(21-2)6-5-14(17)16(13)18/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m1/s1
InChIKeyUFWLQQCJHRTYQG-GFCCVEGCSA-N
XLogP2.60
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 43818450
2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 99947009
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 43818512
5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol
CID 51497042
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 43818433
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962825
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43818563
5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43818526
4-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 77089940
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (CID 99928125) is N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is COCCN(Cc1c(OC)ccc(F)c1F)C[C@H]1CCCO1.
What is the InChIKey of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is UFWLQQCJHRTYQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-20-9-7-19(10-12-4-3-8-22-12)11-13-15(21-2)6-5-14(17)16(13)18/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 315.36 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-6-methoxyphenyl)methyl]-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 99928125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).