N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine

C12H16F3NO — CID 71604916

IUPACN-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(NCc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(9-17-2,12(13,14)15)16-8-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3
InChIKeyOCMCWSVXIQPWOD-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.74
Rot. Bonds5

About N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine

N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine (PubChem CID 71604916) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
PubChem CID71604916
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(NCc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(9-17-2,12(13,14)15)16-8-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3
InChIKeyOCMCWSVXIQPWOD-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4348
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CID 14909
(Benzylamino)acetaldehyde diethyl acetal
CID 521961
Benzyl(2-methoxyethyl)amine
CID 2396989
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
2-(Benzylamino)propan-1-ol
CID 138873
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3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
N-(2-Methoxyethyl)-1-phenylcyclohexanamine
CID 46839344
N-Benzyl-L-alaninol
CID 5356540
1-(Benzylamino)propan-2-ol
CID 97731

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine (CID 71604916) is N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine is COCC(C)(NCc1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine?
The InChIKey is OCMCWSVXIQPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(9-17-2,12(13,14)15)16-8-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3.
What are the key properties of N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine?
N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 71604916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).