2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine

C11H13F4NO — CID 115046789

IUPAC2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccccc1CC(F)(CN)C(F)(F)F
InChIInChI=1S/C11H13F4NO/c1-17-9-5-3-2-4-8(9)6-10(12,7-16)11(13,14)15/h2-5H,6-7,16H2,1H3
InChIKeySNWBXYBTKVXKRN-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.47
Rot. Bonds4

About 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine

2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 115046789) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID115046789
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccccc1CC(F)(CN)C(F)(F)F
InChIInChI=1S/C11H13F4NO/c1-17-9-5-3-2-4-8(9)6-10(12,7-16)11(13,14)15/h2-5H,6-7,16H2,1H3
InChIKeySNWBXYBTKVXKRN-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540
2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile
CID 174958896
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
CID 65380128
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methoxybenzene
CID 102642148
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine
CID 54933322

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine (CID 115046789) is 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine is COc1ccccc1CC(F)(CN)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is SNWBXYBTKVXKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-17-9-5-3-2-4-8(9)6-10(12,7-16)11(13,14)15/h2-5H,6-7,16H2,1H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine?
2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 251.22 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115046789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).