2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine

C14H20F3NO — CID 64553938

IUPAC2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,3)18-10-11-5-4-6-12(9-11)19-8-7-14(15,16)17/h4-6,9,18H,7-8,10H2,1-3H3
InChIKeySTCKLRXXDIREGA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.91
Rot. Bonds5

About 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine (PubChem CID 64553938) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
PubChem CID64553938
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,3)18-10-11-5-4-6-12(9-11)19-8-7-14(15,16)17/h4-6,9,18H,7-8,10H2,1-3H3
InChIKeySTCKLRXXDIREGA-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 82007119
4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
CID 113398854
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
2-methyl-N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]propan-2-amine
CID 66346953
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
N-[(3-hept-6-enoxyphenyl)methyl]-2-methylpropan-2-amine
CID 107006178
N-[[3-bromo-4-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64552489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine (CID 64553938) is 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1cccc(OCCC(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine?
The InChIKey is STCKLRXXDIREGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(2,3)18-10-11-5-4-6-12(9-11)19-8-7-14(15,16)17/h4-6,9,18H,7-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 64553938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).